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  1. Retinoic acid
    Cas#: 302-79-4        Compound CID:  444795
    Formula:  C20H28O2        Molecular Weight: 300.44
    IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
    SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
    InChIKey: SHGAZHPCJJPHSC-YCNIQYBTSA-N
    InChI: InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
    Synonyms: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid | TRETINOIN COMPONENT OF...
  2. Tamoxifen, Agonist of Estrogen receptor-α;Antagonist of Estrogen receptor-α;Agonist of Estrogen receptor-β;Antagonist of Estrogen receptor-β;Agonist of GPER
    Cas#: 10540-29-1       
    Formula:  C26H29NO        Molecular Weight: 371.51
    IUPAC Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
    SMILES: CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3
    InChIKey: NKANXQFJJICGDU-QPLCGJKRSA-N
    InChI: InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
    Synonyms: (Z)-Tamoxifen | ICI 47699 | trans-Tamoxifen
  3. (-)-Epigallocatechin gallate
    Cas#: 989-51-5        Compound CID:  65064
    Formula:  C22H18O11        Molecular Weight: 458.37
    IUPAC Name: [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
    SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
    InChIKey: WMBWREPUVVBILR-WIYYLYMNSA-N
    InChI: InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
    Synonyms: EGCG | 3-O-Gallate
  4. Quetiapine, Agonist of 5-HT 1A receptor;Agonist of 5-HT 1D receptor;Agonist of 5-ht 1e receptor;Agonist of 5-HT 1F receptor;Agonist of 5-HT 2A receptor;Antagonist of 5-HT 2A receptor;Antagonist of D 2 receptor;Antagonist of H 1 receptor;Inhibitor of NET
    Cas#: 111974-69-7        Compound CID:  5002
    Formula:  C21H25N3O2S        Molecular Weight: 383.51
    IUPAC Name: 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol
    SMILES: C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42
    InChIKey: URKOMYMAXPYINW-UHFFFAOYSA-N
    InChI: InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
    Synonyms: 2-[2-(4-benzo[b][1,5]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol | 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiper...
  5. Reserpine, Synaptic vesicular amine transporter inhibitor
    Cas#: 50-55-5        Compound CID:  5770
    Formula:  C33H40N2O9        Molecular Weight: 608.68
    IUPAC Name: methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
    SMILES: COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC
    InChIKey: QEVHRUUCFGRFIF-MDEJGZGSSA-N
    InChI: InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1
    Synonyms: Carditivo | Eberpine | Rautrin | Reserp | Reserpil | Benazyl | Diurese-R | Eskaserp | Gilucard | Hydroserp | Reserpam...
  6. Retinoic acid, Retinoic acid receptor agonist
    Cas#: 302-79-4        Compound CID:  444795
    Formula:  C20H28O2        Molecular Weight: 300.44
    IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
    SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
    InChIKey: SHGAZHPCJJPHSC-YCNIQYBTSA-N
    InChI: InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
    Synonyms: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid | TRETINOIN COMPONENT OF...
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