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  1. 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
  2. Aristolochic acid A
    Cas#: 313-67-7        Compound CID:  2236
    Formula:  C17H11NO7        Molecular Weight: 341.27
    IUPAC Name: 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
    SMILES: COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O
    InChIKey: BBFQZRXNYIEMAW-UHFFFAOYSA-N
    InChI: InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)
    Synonyms: DTXSID0040969 | KBio2_006772 | NCGC00017334-01 | NCGC00095981-03 | ARISTOLOCHIC ACID [IARC] | C17H11NO7 | KBio2_00163...
  3. 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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