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  1. Bisphenol A, Antagonist of Androgen receptor;Agonist of Estrogen receptor-β
    Cas#: 80-05-7        Compound CID:  6623
    Formula:  C15H16O2        Molecular Weight: 228.29
    IUPAC Name: 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
    SMILES: CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
    InChIKey: IISBACLAFKSPIT-UHFFFAOYSA-N
    InChI: InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
    Synonyms: Bis(4-hydroxyphenyl) dimethylmethane | bis-phenol-a | Bisphenol-A | DTXCID30182 | 4,2-propane | 4,4'-Dihydroxdiphenyl...
  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. 2-Octyl-4-isothiazolin-3-one
    Cas#: 26530-20-1        Compound CID:  33528
    Formula:  C11H19NOS        Molecular Weight: 213.34
    IUPAC Name: 2-octyl-1,2-thiazol-3-one
    SMILES: CCCCCCCCN1C(=O)C=CS1
    InChIKey: JPMIIZHYYWMHDT-UHFFFAOYSA-N
    InChI: InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3
    Synonyms: 2-n-Octyl-3-isothiazolone | 2-Octyl-3-isothiazolone | Kathon 893 | AS-11894 | Tox21_201459 | 2-Octyl-3-isothioazolone...
  4. Genistein, Activator of CFTR;Agonist of Estrogen receptor-β;Agonist of Estrogen-related receptor-α;Agonist of Estrogen-related receptor-β;Agonist of Estrogen-related receptor-γ;Agonist of TAS2R14;Agonist of TAS2R39;Activator of TRPC5
    Cas#: 446-72-0        Compound CID:  5280961
    Formula:  C15H10O5        Molecular Weight: 270.24
    IUPAC Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
    SMILES: C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O
    InChIKey: TZBJGXHYKVUXJN-UHFFFAOYSA-N
    InChI: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
    Synonyms: cid_5280961 | GTPL2826 | BRN 0263823 | DH2M523P0H | MolMap_000022 | GENISTEIN (USP-RS) | Differenol A | GENISTEIN [MI...
  5. Triadimenol
    Cas#: 55219-65-3        Compound CID:  41368
    Formula:  C14H18ClN3O2        Molecular Weight: 295.76
    IUPAC Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
    SMILES: CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O
    InChIKey: BAZVSMNPJJMILC-UHFFFAOYSA-N
    InChI: InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3
    Synonyms: NCGC00088160-03 | a-(4-chlorophenoxy)-b-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol | Baytan | DTXSID0032493 | NC...
  6. Hexachlorophene, Bacterial enoyl-[acyl-carrier-protein] reductase inhibitor
    Cas#: 70-30-4        Compound CID:  3598
    Formula:  CH2[C6H(Cl)3OH]2        Molecular Weight: 406.9
    IUPAC Name: 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol
    SMILES: C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl
    InChIKey: ACGUYXCXAPNIKK-UHFFFAOYSA-N
    InChI: InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2
    Synonyms: 2,2'-methanediylbis(3,4,6-trichlorophenol) | hexachlorophene | IWW5FV6NK2 | 2,5,6-trichlorophenol) | 6,6'-Methylenebi...
  7. Biochanin A, Agonist of Estrogen-related receptor-α;Agonist of Estrogen-related receptor-β;Agonist of Estrogen-related receptor-γ
    Cas#: 491-80-5        Compound CID:  5280373
    Formula:  C16H12O5        Molecular Weight: 284.26
    IUPAC Name: 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one
    SMILES: COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O
    InChIKey: WUADCCWRTIWANL-UHFFFAOYSA-N
    InChI: InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
    Synonyms: 5,7-Dihydrox -4'-methoxyisoflavone | B4098 | IDI1_001027 | KBio1_001027 | NCGC00017369-01 | Opera_ID_621 | Tox21_3029...
  8. Chelerythrine chloride
    Cas#: 3895-92-9       
    Formula:  C21H18NO4.Cl        Molecular Weight: 383.82
    IUPAC Name: 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium;chloride
    SMILES: C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5.[Cl-]
    InChIKey: WEEFNMFMNMASJY-UHFFFAOYSA-M
    InChI: InChI=1S/C21H18NO4.ClH/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22;/h4-10H,11H2,1-3H3;1H/q+1;/p-1
    Synonyms: Chelerythrine hydrochloride | Q-200825 | SR-01000075750 | UNII-7IC98TZ0PZ | BCP0726000282 | CHELERYTHRINIUM CHLORIDE ...
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