小分子和化合物库

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显示第7384个,产品总数8,370

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  1. ZM 323881 盐酸盐
      规格或纯度 :
    • ≥99%
    CAS号: 193000-39-4        Compound CID : 22624897
    分子式: C22H18FN3O2·HCl        分子量: 411.86
    IUPAC Name: 4-fluoro-2-methyl-5-[(7-phenylmethoxyquinazolin-4-yl)amino]phenol;hydrochloride
    SMILES: CC1=CC(=C(C=C1O)NC2=NC=NC3=C2C=CC(=C3)OCC4=CC=CC=C4)F.Cl
    InChIKey: AVRHWGLIYGJSOD-UHFFFAOYSA-N
    InChI: 1S/C22H18FN3O2.ClH/c1-14-9-18(23)20(11-21(14)27)26-22-17-8-7-16(10-19(17)24-13-25-22)28-12-15-5-3-2-4-6-15;/h2-11,13,27H,12H2,1H3,(H,24,25,26);1H
  2. 乌苯美司
    CAS号: 58970-76-6        EC号: 261-529-2
    分子式: C16H24N2O4        分子量: 308.37
    IUPAC Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid
    SMILES: CC(C)CC(C(=O)O)NC(=O)C(C(CC1=CC=CC=C1)N)O
    InChIKey: VGGGPCQERPFHOB-RDBSUJKOSA-N
    InChI: 1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1
  3. BAM7,Bax活化剂
      规格或纯度 :
    • ≥99%
    CAS号: 331244-89-4        Compound CID : 3101542
    分子式: C21H19N5O2S        分子量: 405.47
    IUPAC Name: 4-[(2-ethoxyphenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
    SMILES: CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C
    InChIKey: WRLVHADVOGFZOZ-UHFFFAOYSA-N
    InChI: 1S/C21H19N5O2S/c1-3-28-18-12-8-7-11-16(18)23-24-19-14(2)25-26(20(19)27)21-22-17(13-29-21)15-9-5-4-6-10-15/h4-13,25H,3H2,1-2H3
  4. BMS-378806
      规格或纯度 :
    • ≥99%
    CAS号: 357263-13-9
    分子式: C22H22N4O4        分子量: 406.43
    IUPAC Name: 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione
    SMILES: CC1CN(CCN1C(=O)C(=O)C2=CNC3=NC=CC(=C23)OC)C(=O)C4=CC=CC=C4
    InChIKey: OKGPFTLYBPQBIX-CQSZACIVSA-N
    InChI: 1S/C22H22N4O4/c1-14-13-25(21(28)15-6-4-3-5-7-15)10-11-26(14)22(29)19(27)16-12-24-20-18(16)17(30-2)8-9-23-20/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,24)/t14-/m1/s1
  5. Balapiravir,抗丙型肝炎
      规格或纯度 :
    • ≥99%
    CAS号: 690270-29-2
    分子式: C21H30N6O8        分子量: 494.5
    IUPAC Name: [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
    SMILES: CC(C)C(=O)OCC1(C(C(C(O1)N2C=CC(=NC2=O)N)OC(=O)C(C)C)OC(=O)C(C)C)N=[N+]=[N-]
    InChIKey: VKXWOLCNTHXCLF-DXEZIKHYSA-N
    InChI: 1S/C21H30N6O8/c1-10(2)17(28)32-9-21(25-26-23)15(34-19(30)12(5)6)14(33-18(29)11(3)4)16(35-21)27-8-7-13(22)24-20(27)31/h7-8,10-12,14-16H,9H2,1-6H3,(H2,22,24,31)/t14-,15+,16-,21-/m1/s1
  6. MRS 1754,广谱氟喹诺酮类抗生素
      规格或纯度 :
    • ≥99%
    CAS号: 405165-61-9        Compound CID : 10224595
    分子式: C19H21ClFN3O3.HCl        分子量: 430.3
    IUPAC Name: 7-[(3R)-3-aminoazepan-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
    SMILES: C1CCN(CC(C1)N)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F.Cl
    InChIKey: PMQBICKXAAKXAY-HNCPQSOCSA-N
    InChI: 1S/C19H21ClFN3O3.ClH/c20-15-16-12(18(25)13(19(26)27)9-24(16)11-4-5-11)7-14(21)17(15)23-6-2-1-3-10(22)8-23;/h7,9-11H,1-6,8,22H2,(H,26,27);1H/t10-;/m1./s1
  7. 波生坦 一水合物
      规格或纯度 :
    • ≥99%
    CAS号: 157212-55-0
    分子式: C27H29N5O6S.H2O        分子量: 569.63
    IUPAC Name: 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide;hydrate
    SMILES: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC.O
    InChIKey: SXTRWVVIEPWAKM-UHFFFAOYSA-N
    InChI: 1S/C27H29N5O6S.H2O/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24;/h5-15,33H,16-17H2,1-4H3,(H,30,31,32);1H2
  8. CGP60474,CDK抑制剂
      规格或纯度 :
    • ≥99%
    CAS号: 164658-13-3
    分子式: C18H18ClN5O        分子量: 355.82
    IUPAC Name: 3-[[4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridin-2-yl]amino]propan-1-ol
    SMILES: C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO
    InChIKey: IYNDTACKOAXKBJ-UHFFFAOYSA-N
    InChI: 1S/C18H18ClN5O/c19-14-3-1-4-15(12-14)23-18-22-9-6-16(24-18)13-5-8-21-17(11-13)20-7-2-10-25/h1,3-6,8-9,11-12,25H,2,7,10H2,(H,20,21)(H,22,23,24)
  9. CCT129202
      规格或纯度 :
    • ≥99%
    CAS号: 942947-93-5        Compound CID : 16202152
    分子式: C23H25ClN8OS        分子量: 497.03
    IUPAC Name: 2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
    SMILES: CN(C)C1=CC=C(C=C1)C2=NC3=NC=C(C(=C3N2)N4CCN(CC4)CC(=O)NC5=NC=CS5)Cl
    InChIKey: QYKHWEFPFAGNEV-UHFFFAOYSA-N
    InChI: 1S/C23H25ClN8OS/c1-30(2)16-5-3-15(4-6-16)21-28-19-20(17(24)13-26-22(19)29-21)32-10-8-31(9-11-32)14-18(33)27-23-25-7-12-34-23/h3-7,12-13H,8-11,14H2,1-2H3,(H,25,27,33)(H,26,28,29)
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