小分子和化合物库

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  1. VH 298,VHL的抑制剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 2097381-85-4        Compound CID : 122199236
    分子式: C27H33N5O4S        分子量: 523.65
    IUPAC Name: (2S,4R)-1-[(2S)-2-[(1-cyanocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
    SMILES: CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C4(CC4)C#N)O
    InChIKey: NDVQUNZCNAMROD-RZUBCFFCSA-N
    InChI: 1S/C27H33N5O4S/c1-16-21(37-15-30-16)18-7-5-17(6-8-18)12-29-23(34)20-11-19(33)13-32(20)24(35)22(26(2,3)4)31-25(36)27(14-28)9-10-27/h5-8,15,19-20,22,33H,9-13H2,1-4H3,(H,29,34)(H,31,36)/t19-,20+,22-/m1/sSee more
  2. Veliparib dihydrochloride,PARP-1和-2抑制剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 912445-05-7        Compound CID : 45480520
    分子式: C13H16N4O•2HCl        分子量: 317.21
    IUPAC Name: 2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide;dihydrochloride
    SMILES: CC1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl
    InChIKey: DSBSVDCHFMEYBX-FFXKMJQXSA-N
    InChI: 1S/C13H16N4O.2ClH/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12;;/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17);2*1H/t13-;;/m1../s1
  3. AMPA Receptors
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 875927-64-3
    分子式: C17H19FN2O2S        分子量: 334.41
    IUPAC Name: N-[(2R)-5-(6-fluoropyridin-3-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
    SMILES: CC(C)S(=O)(=O)NC1CC2=C(C1)C=C(C=C2)C3=CN=C(C=C3)F
    InChIKey: QXQSUBKWSHMXDP-MRXNPFEDSA-N
    InChI: 1S/C17H19FN2O2S/c1-11(2)23(21,22)20-16-8-13-4-3-12(7-15(13)9-16)14-5-6-17(18)19-10-14/h3-7,10-11,16,20H,8-9H2,1-2H3/t16-/m1/s1
  4. UNC 2881,Mer激酶抑制剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 1493764-08-1        Compound CID : 71721525
    分子式: C25H33N7O2        分子量: 463.58
    IUPAC Name: 2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]-N-[(4-imidazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide
    SMILES: CCCCNC1=NC=C(C(=N1)NC2CCC(CC2)O)C(=O)NCC3=CC=C(C=C3)N4C=CN=C4
    InChIKey: NPVXOWLPOFYACO-UHFFFAOYSA-N
    InChI: 1S/C25H33N7O2/c1-2-3-12-27-25-29-16-22(23(31-25)30-19-6-10-21(33)11-7-19)24(34)28-15-18-4-8-20(9-5-18)32-14-13-26-17-32/h4-5,8-9,13-14,16-17,19,21,33H,2-3,6-7,10-12,15H2,1H3,(H,28,34)(H2,27,29,30,31)
  5. UCB 35625,CCR1和CCR3拮抗剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 202796-42-7        Compound CID : 6918496
    分子式: C30H37Cl2IN2O2        分子量: 655.44
    IUPAC Name: 2,7-dichloro-N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide;iodide
    SMILES: CC[N+]1(CCC(CC1)NC(=O)C2C3=C(C=CC(=C3)Cl)OC4=C2C=C(C=C4)Cl)CC5=CCCCCCC5.[I-]
    InChIKey: FOAFBMYSXIGAOX-LQGGPMKRSA-N
    InChI: 1S/C30H36Cl2N2O2.HI/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29;/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3;1H/b21-8+;
  6. UC 112,IAP和XIAP抑制剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 383392-66-3        Compound CID : 3426979
    分子式: C22H24N2O2        分子量: 348.44
    IUPAC Name: 5-(phenylmethoxymethyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
    SMILES: C1CCN(C1)CC2=CC(=C3C=CC=NC3=C2O)COCC4=CC=CC=C4
    InChIKey: LTGLGIQQZXSLLF-UHFFFAOYSA-N
    InChI: 1S/C22H24N2O2/c25-22-18(14-24-11-4-5-12-24)13-19(20-9-6-10-23-21(20)22)16-26-15-17-7-2-1-3-8-17/h1-3,6-10,13,25H,4-5,11-12,14-16H2
  7. UBP 301,红藻氨酸拮抗剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 569371-10-4        Compound CID : 6604913
    分子式: C15H14IN3O6        分子量: 459.20
    IUPAC Name: 4-[[3-[(2S)-2-amino-2-carboxyethyl]-5-iodo-2,6-dioxopyrimidin-1-yl]methyl]benzoic acid
    SMILES: C1=CC(=CC=C1CN2C(=O)C(=CN(C2=O)CC(C(=O)O)N)I)C(=O)O
    InChIKey: JHSYCOCOIYSZGI-NSHDSACASA-N
    InChI: 1S/C15H14IN3O6/c16-10-6-18(7-11(17)14(23)24)15(25)19(12(10)20)5-8-1-3-9(4-2-8)13(21)22/h1-4,6,11H,5,7,17H2,(H,21,22)(H,23,24)/t11-/m0/s1
  8. TRPV3 74a,TRPV3拮抗剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号: 1432051-63-2
    分子式: C17H17F3N2O2        分子量: 338.32
    IUPAC Name: 3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[4-(trifluoromethyl)pyridin-2-yl]cyclobutan-1-ol
    SMILES: CC1(CC(C1)(C2=NC=CC(=C2)C(F)(F)F)C(C3=CC=CC=N3)O)O
    InChIKey: MTJXDHFAWXGXIN-QQFBHYJXSA-N
    InChI: 1S/C17H17F3N2O2/c1-15(24)9-16(10-15,14(23)12-4-2-3-6-21-12)13-8-11(5-7-22-13)17(18,19)20/h2-8,14,23-24H,9-10H2,1H3/t14-,15?,16?/m1/s1
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