小分子和化合物库

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  1. LY2456302
    CAS号 : 1174130-61-0       
    分子式: C26H27FN2O2        分子量: 418.50
    IUPAC Name: 4-[4-[[(2S)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenoxy]-3-fluorobenzamide
    SMILES: Cc1cc(C)cc(c1)[C@@H]1CCCN1Cc1ccc(cc1)Oc1ccc(cc1F)C(=O)N
    InChIKey: ZHPMYDSXGRRERG-DEOSSOPVSA-N
    InChI: InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)/t24-/m0/s1
  2. GSK1521498 free base
    CAS号 : 1007573-18-3       
    分子式: C24H20F2N4        分子量: 402.44
    IUPAC Name: N-[[2,6-difluoro-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine
    SMILES: C1C(CC2=CC=CC=C21)NCC3=C(C=C(C=C3F)C4=CC(=CC=C4)C5=NC=NN5)F
    InChIKey: WIEDUMBCZQRGSY-UHFFFAOYSA-N
    InChI: InChI=1S/C24H20F2N4/c25-22-11-19(15-6-3-7-18(8-15)24-28-14-29-30-24)12-23(26)21(22)13-27-20-9-16-4-1-2-5-17(16)10-20/h1-8,11-12,14,20,27H,9-10,13H2,(H,28,29,30)
  3. DAMGO TFA
    CAS号 : 950492-85-0       
    分子式: C28H36F3N5O8        分子量: 627.61
    IUPAC Name: (2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]-methylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
    SMILES: CC(C(=O)NCC(=O)N(C)C(CC1=CC=CC=C1)C(=O)NCCO)NC(=O)C(CC2=CC=C(C=C2)O)N
    InChIKey: HPZJMUBDEAMBFI-WTNAPCKOSA-N
    InChI: InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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