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5 项目

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  1. 秋水仙碱
    CAS号 : 64-86-8        Compound CID : 6167
    分子式: C22H25NO6        分子量: 399.44
    IUPAC Name: N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
    SMILES: CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
    InChIKey: IAKHMKGGTNLKSZ-INIZCTEOSA-N
    InChI: InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
  2. 秋水仙碱
    CAS号 : 64-86-8        Compound CID : 6167
    分子式: C22H25NO6        分子量: 399.44
    IUPAC Name: N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
    SMILES: CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
    InChIKey: IAKHMKGGTNLKSZ-INIZCTEOSA-N
    InChI: InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
  3. I-BET762,的BRD抑制剂
    CAS号 : 1260907-17-2        Compound CID : 46943432
    分子式: C22H22ClN5O2        分子量: 423.9
    IUPAC Name: 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide
    SMILES: CCNC(=O)CC1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C
    InChIKey: AAAQFGUYHFJNHI-SFHVURJKSA-N
    InChI: InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
  4. SGC-CBP30
    CAS号 : 1613695-14-9        Compound CID : 72201027
    分子式: C28H33ClN4O3        分子量: 509.04
    IUPAC Name: 4-[(2S)-1-[2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]propan-2-yl]morpholine
    SMILES: CC1=C(C(=NO1)C)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC(=C(C=C4)OC)Cl)CC(C)N5CCOCC5
    InChIKey: GEPYBHCJBORHCE-SFHVURJKSA-N
    InChI: InChI=1S/C28H33ClN4O3/c1-18(32-11-13-35-14-12-32)17-33-25-8-7-22(28-19(2)31-36-20(28)3)16-24(25)30-27(33)10-6-21-5-9-26(34-4)23(29)15-21/h5,7-9,15-16,18H,6,10-14,17H2,1-4H3/t18-/m0/s1
  5. Teriflunomide
    CAS号 : 108605-62-5        Compound CID : 54684141
    分子式: C12H9F3N2O2        分子量: 270.21
    IUPAC Name: (Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide
    SMILES: CC(=C(C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F)O
    InChIKey: UTNUDOFZCWSZMS-YFHOEESVSA-N
    InChI: InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7-
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