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  1. Sulfisoxazole
    Cas#: 127-69-5        Compound CID:  5344
    Formula:  C11H13N3O3S        Molecular Weight: 267.3
    IUPAC Name: 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
    SMILES: CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N
    InChIKey: NHUHCSRWZMLRLA-UHFFFAOYSA-N
    InChI: InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3
    Synonyms: BRN 0263871 | Soxamide | Soxazole | Sulfisoxazol | Sulphadimethylisoxazole | UNII-740T4C525W | Alphazole | Koro-sulf ...
  2. Chrysin, Inhibitor of CYP1A1;Inhibitor of CYP1B1
    Cas#: 480-40-0        Compound CID:  5281607
    Formula:  C15H10O4        Molecular Weight: 254.24
    IUPAC Name: 5,7-dihydroxy-2-phenylchromen-4-one
    SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
    InChIKey: RTIXKCRFFJGDFG-UHFFFAOYSA-N
    InChI: InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
    Synonyms: Chrysin, 97% | cid_5281607 | NCGC00168807-02 | 57D | HMS501O16 | KBioSS_000725 | Chrysin,(S) | LMPK12110189 | NCGC000...
  3. Paclitaxel, Agonist of Pregnane X receptor;Agonist of TLR4;Inhibitor of tubulin beta class I
    Cas#: 33069-62-4        Compound CID:  36314
    Formula:  C47H51NO14        Molecular Weight: 853.91
    IUPAC Name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
    SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
    InChIKey: RCINICONZNJXQF-MZXODVADSA-N
    InChI: InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1
    Synonyms: NSC125973 | NSC-125973 | Onxal | ORAXOL COMPONENT PACLITAXEL | Pacliex | (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R...
  4. (-)-Arctigenin
    Cas#: 7770-78-7        Compound CID:  64981
    Formula:  C21H24O6        Molecular Weight: 372.41
    IUPAC Name: (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
    SMILES: COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)OC
    InChIKey: NQWVSMVXKMHKTF-JKSUJKDBSA-N
    InChI: InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1
    Synonyms: 2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)dihydro-3-((4-hydroxy-3-methoxyphenyl)methyl)-, (3R-trans)- | SCHEMBL3...
  5. Niclosamide, Activator of K Na1.1
    Cas#: 50-65-7        Compound CID:  4477
    Formula:  C13H8Cl2N2O4        Molecular Weight: 327.12
    IUPAC Name: 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
    SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O
    InChIKey: RJMUSRYZPJIFPJ-UHFFFAOYSA-N
    InChI: InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
    Synonyms: NCGC00015735-07 | SCHEMBL67182 | Spectrum5_001083 | 2',5-Dichloro-4'-nitrosalicylanilide | CHEBI:7553 | BAY-2353 | Ni...
  6. Ethoxyquin
    Cas#: 91-53-2        Compound CID:  3293
    Formula:  C14H19NO        Molecular Weight: 217.31
    IUPAC Name: 6-ethoxy-2,2,4-trimethyl-1H-quinoline
    SMILES: CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C
    InChIKey: DECIPOUIJURFOJ-UHFFFAOYSA-N
    InChI: InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3
    Synonyms: NCGC00016348-07 | Nocrack AW | Spectrum3_001423 | Antage AW | IDI1_000183 | SPBio_002749 | BSPBio_000810 | HSDB 400 |...
  7. Linolenic acid
    Cas#: 463-40-1        Compound CID:  5280934
    Formula:  C18H30O2        Molecular Weight: 278.44
    IUPAC Name: (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid
    SMILES: CCC=CCC=CCC=CCCCCCCCC(=O)O
    InChIKey: DTOSIQBPPRVQHS-PDBXOOCHSA-N
    InChI: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
    Synonyms: cis,cis,cis-9,12,15-Octadecatrienoic acid | (Z,Z,Z)-9,12,15-Octadecatrienoic acid | linolenate | linolenic acid | (9Z...
  8. Schisandrin A, Agonist of Pregnane X receptor
    Cas#: 61281-38-7        Compound CID:  155256
    Formula:  C24H32O6        Molecular Weight: 416.51
    IUPAC Name: (9R,10S)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene
    SMILES: CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1C)OC)OC)OC)OC)OC)OC
    InChIKey: JEJFTTRHGBKKEI-OKILXGFUSA-N
    InChI: InChI=1S/C24H32O6/c1-13-9-15-11-17(25-3)21(27-5)23(29-7)19(15)20-16(10-14(13)2)12-18(26-4)22(28-6)24(20)30-8/h11-14H,9-10H2,1-8H3/t13-,14+
    Synonyms: AKOS015960456 | (6R,7S,12aR)-5,6,7,8-Tetrahydro-1,2,3,10,11,12-hexamethoxy-6,7-dimethyldibenzo[a,c]cyclooctene | Meth...
  9. β-Estradiol, Agonist of Estrogen receptor-α;Agonist of Estrogen receptor-β;Agonist of GPER;Activator of K Ca1.1;Agonist of Pregnane X receptor;Inhibitor of Proton-coupled Amino acid Transporter 1
    Cas#: 50-28-2        Compound CID:  5757
    Formula:  C18H24O2        Molecular Weight: 272.38
    IUPAC Name: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
    SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O
    InChIKey: VOXZDWNPVJITMN-ZBRFXRBCSA-N
    InChI: InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
    Synonyms: 3,17-Epidihydroxyestratriene | Estraderm TTS 50 | Dihydromenformon | Compudose 365 | Dihydroxyesterin | Estrace | Pri...
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