小分子和化合物库

选项
视图 列表 网格

显示第112个,产品总数173

设置降序方向
  1. N-去甲基氯氮平
    CAS号 : 6104-71-8        Compound CID : 135409468
    分子式: C17H17ClN4        分子量: 312.8
    IUPAC Name: 3-chloro-6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine
    SMILES: C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42
    InChIKey: JNNOSTQEZICQQP-UHFFFAOYSA-N
    InChI: InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2
  2. 组织蛋白酶抑制剂1
      规格或纯度 :
    • ≥99%
    CAS号 : 225120-65-0        Compound CID : 44224135
    分子式: C20H24ClN5O2        分子量: 401.89
    IUPAC Name: 5-tert-butyl-N-[(2S)-3-(3-chlorophenyl)-1-(cyanomethylamino)-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
    SMILES: CC(C)(C)C1=NN(C(=C1)C(=O)NC(CC2=CC(=CC=C2)Cl)C(=O)NCC#N)C
    InChIKey: MZRVIHRERYCHBL-HNNXBMFYSA-N
    InChI: InChI=1S/C20H24ClN5O2/c1-20(2,3)17-12-16(26(4)25-17)19(28)24-15(18(27)23-9-8-22)11-13-6-5-7-14(21)10-13/h5-7,10,12,15H,9,11H2,1-4H3,(H,23,27)(H,24,28)/t15-/m0/s1
  3. 茶苯海明
      规格或纯度 :
    • ≥97%
    CAS号 : 523-87-5        Compound CID : 10660
    分子式: C17H21NO · C7H7ClN4O2        分子量: 469.96
    IUPAC Name: 2-benzhydryloxy-N,N-dimethylethanamine;8-chloro-1,3-dimethyl-7H-purine-2,6-dione
    SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2
    InChIKey: NFLLKCVHYJRNRH-UHFFFAOYSA-N
    InChI: InChI=1S/C17H21NO.C7H7ClN4O2/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h3-12,17H,13-14H2,1-2H3;1-2H3,(H,9,10)
  4. E-64,半胱氨酸蛋白酶抑制剂
      规格或纯度 :
    • ≥99%
    • protease inhibitor
    CAS号 : 66701-25-5        Compound CID : 123985
    分子式: C15H27N5O5        分子量: 357.41
    IUPAC Name: (2S,3S)-3-[[(2S)-1-[4-(diaminomethylideneamino)butylamino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid
    SMILES: CC(C)CC(C(=O)NCCCCN=C(N)N)NC(=O)C1C(O1)C(=O)O
    InChIKey: LTLYEAJONXGNFG-DCAQKATOSA-N
    InChI: InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1
  5. L-莨菪碱
    CAS号 : 101-31-5        Compound CID : 154417
    分子式: C17H23NO3        分子量: 289.37
    IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
    SMILES: CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3
    InChIKey: RKUNBYITZUJHSG-VFSICIBPSA-N
    InChI: InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16-/m1/s1
  6. SF1670,PTEN抑制剂
      规格或纯度 :
    • ≥98%
    CAS号 : 345630-40-2        Compound CID : 9926586
    分子式: C19H17NO3        分子量: 307.35
    IUPAC Name: N-(9,10-dioxophenanthren-2-yl)-2,2-dimethylpropanamide
    SMILES: CC(C)(C)C(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C(=O)C2=O
    InChIKey: VZQDDSYKVYARDW-UHFFFAOYSA-N
    InChI: InChI=1S/C19H17NO3/c1-19(2,3)18(23)20-11-8-9-13-12-6-4-5-7-14(12)16(21)17(22)15(13)10-11/h4-10H,1-3H3,(H,20,23)
  7. SID 26681509,人组织蛋白酶L抑制剂
      规格或纯度 :
    • ≥95%
    CAS号 : 958772-66-2        Compound CID : 16725315
    分子式: C27H33N5O5S        分子量: 539.65
    IUPAC Name: tert-butyl N-[(2S)-1-[2-[2-(2-ethylanilino)-2-oxoethyl]sulfanylcarbonylhydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
    SMILES: CCC1=CC=CC=C1NC(=O)CSC(=O)NNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OC(C)(C)C
    InChIKey: OTIWAYTTYNFEKL-QFIPXVFZSA-N
    InChI: InChI=1S/C27H33N5O5S/c1-5-17-10-6-8-12-20(17)29-23(33)16-38-26(36)32-31-24(34)22(30-25(35)37-27(2,3)4)14-18-15-28-21-13-9-7-11-19(18)21/h6-13,15,22,28H,5,14,16H2,1-4H3,(H,29,33)(H,30,35)(H,31,34)(H,32,36)/t22-/m0/s1
  8. L 006235,组织蛋白酶K抑制剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 294623-49-7        Compound CID : 9912381
    分子式: C24H30N6O2S        分子量: 466.6
    IUPAC Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
    SMILES: CN1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)C(=O)NC4(CCCCC4)C(=O)NCC#N
    InChIKey: FIVYCSWOCXEWSE-UHFFFAOYSA-N
    InChI: InChI=1S/C24H30N6O2S/c1-29-13-15-30(16-14-29)23-27-20(17-33-23)18-5-7-19(8-6-18)21(31)28-24(9-3-2-4-10-24)22(32)26-12-11-25/h5-8,17H,2-4,9-10,12-16H2,1H3,(H,26,32)(H,28,31)
  9. 胃蛋白酶抑制剂 A TFA
      规格或纯度 :
    • ≥97%
    CAS号 : 26305-03-3(free)       
    分子式: C36H64N5O11F3        分子量: 799.9
    IUPAC Name: (3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid
    SMILES: CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O
    InChIKey: FAXGPCHRFPCXOO-LXTPJMTPSA-N
    InChI: 1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1
  10. Cathepsin L inhibitor inhibitor
      规格或纯度 :
    • ≥95%
    CAS号 : 167498-29-5        Compound CID : 10456222
    分子式: C26H26N2O5        分子量: 446.49
    IUPAC Name: benzyl N-[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-3-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
    SMILES: C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=C(C=C2)O)C=O)NC(=O)OCC3=CC=CC=C3
    InChIKey: QVDJMLQSYRSZKC-UPVQGACJSA-N
    InChI: InChI=1S/C26H26N2O5/c29-17-22(15-20-11-13-23(30)14-12-20)27-25(31)24(16-19-7-3-1-4-8-19)28-26(32)33-18-21-9-5-2-6-10-21/h1-14,17,22,24,30H,15-16,18H2,(H,27,31)(H,28,32)/t22-,24-/m0/s1
  11. D,L-三苯甲基盐酸盐
    CAS号 : 58947-95-8        Compound CID : 66007
    分子式: C20H32ClNO        分子量: 337.93
    IUPAC Name: 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride
    SMILES: C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O.Cl
    InChIKey: QDWJJTJNXAKQKD-UHFFFAOYSA-N
    InChI: InChI=1S/C20H31NO.ClH/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21;/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2;1H
每页