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6 项目

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  1. 非美诺司他
    CAS号 : 1339928-25-4        Compound CID : 54575456
    分子式: C23H24N8O4S        分子量: 508.55
    IUPAC Name: N-hydroxy-2-[[2-(6-methoxypyridin-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]pyrimidine-5-carboxamide
    SMILES: CN(CC1=CC2=C(S1)C(=NC(=N2)C3=CN=C(C=C3)OC)N4CCOCC4)C5=NC=C(C=N5)C(=O)NO
    InChIKey: JOWXJLIFIIOYMS-UHFFFAOYSA-N
    InChI: InChI=1S/C23H24N8O4S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32)
  2. 耐克替尼
    CAS号 : 1257628-77-5        Compound CID : 51038269
    分子式: C29H27F3N6O        分子量: 532.56
    IUPAC Name: 4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide
    SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CC5=C(NN=C5)N=C4
    InChIKey: TZKBVRDEOITLRB-UHFFFAOYSA-N
    InChI: InChI=1S/C29H27F3N6O/c1-19-3-5-22(14-21(19)6-4-20-13-24-17-34-36-27(24)33-16-20)28(39)35-25-8-7-23(26(15-25)29(30,31)32)18-38-11-9-37(2)10-12-38/h3,5,7-8,13-17H,9-12,18H2,1-2H3,(H,35,39)(H,33,34,36)
  3. CAY10603
    CAS号 : 1045792-66-2        Compound CID : 24951314
    分子式: C22H30N4O6        分子量: 446.5
    IUPAC Name: tert-butyl N-[4-[3-[[7-(hydroxyamino)-7-oxoheptyl]carbamoyl]-1,2-oxazol-5-yl]phenyl]carbamate
    SMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO
    InChIKey: WWGBHDIHIVGYLZ-UHFFFAOYSA-N
    InChI: InChI=1S/C22H30N4O6/c1-22(2,3)31-21(29)24-16-11-9-15(10-12-16)18-14-17(26-32-18)20(28)23-13-7-5-4-6-8-19(27)25-30/h9-12,14,30H,4-8,13H2,1-3H3,(H,23,28)(H,24,29)(H,25,27)
  4. (S)-(+)-马来酸二甲茚
    CAS号 : 121367-05-3        Compound CID : 6604866
    分子式: C₂₀H₂₄N₂・C4H4O₄        分子量: 408.5
    IUPAC Name: N,N-dimethyl-2-[3-[(1S)-1-pyridin-2-ylethyl]-1H-inden-2-yl]ethanamine
    SMILES: CC(C1=CC=CC=N1)C2=C(CC3=CC=CC=C32)CCN(C)C
    InChIKey: MVMQESMQSYOVGV-OAHLLOKOSA-N
    InChI: InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3/t15-/m1/s1
  5. Tubastatin A
    CAS号 : 1252003-15-8        Compound CID : 49850262
    分子式: C20H21N3O2        分子量: 335.4
    IUPAC Name: N-hydroxy-4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide
    SMILES: CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO
    InChIKey: GOVYBPLHWIEHEJ-UHFFFAOYSA-N
    InChI: InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
  6. Tubastatin A
    CAS号 : 1252003-15-8        Compound CID : 49850262
    分子式: C20H21N3O2        分子量: 335.4
    IUPAC Name: N-hydroxy-4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide
    SMILES: CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO
    InChIKey: GOVYBPLHWIEHEJ-UHFFFAOYSA-N
    InChI: InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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