小分子和化合物库

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显示第112个,产品总数56

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  1. Elinogrel
      规格或纯度 :
    • ≥97%(HPLC)
    CAS号 : 936500-94-6        Compound CID : 16066663
    分子式: C24H26N4O5        分子量: 523.95
    IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea
    SMILES: CNC1=C(C=C2C(=C1)NC(=O)N(C2=O)C3=CC=C(C=C3)NC(=O)NS(=O)(=O)C4=CC=C(S4)Cl)F
    InChIKey: LGSDFTPAICUONK-UHFFFAOYSA-N
    InChI: InChI=1S/C20H15ClFN5O5S2/c1-23-15-9-14-12(8-13(15)22)18(28)27(20(30)25-14)11-4-2-10(3-5-11)24-19(29)26-34(31,32)17-7-6-16(21)33-17/h2-9,23H,1H3,(H,25,30)(H2,24,26,29)
  2. 1,3-Dihydro-7,8-dimethyl-2H-imidazo(4,5-b)quinolin-2-one
    CAS号 : 124886-01-7        Compound CID : 5487281
    分子式: C12H11N3O        分子量: 213.23
    IUPAC Name: 7,8-dimethyl-1,3-dihydroimidazo[4,5-b]quinolin-2-one
    SMILES: CC1=C(C2=CC3=C(NC(=O)N3)N=C2C=C1)C
    InChIKey: ODCKPUDNMNCWMR-UHFFFAOYSA-N
    InChI: InChI=1S/C12H11N3O/c1-6-3-4-9-8(7(6)2)5-10-11(13-9)15-12(16)14-10/h3-5H,1-2H3,(H2,13,14,15,16)
  3. Lixazinone
    CAS号 : 94192-59-3        Compound CID : 135434015
    分子式: C21H28N4O3        分子量: 384.5
    IUPAC Name: N-cyclohexyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
    SMILES: CN(C1CCCCC1)C(=O)CCCOC2=CC3=C(C=C2)N=C4NC(=O)CN4C3
    InChIKey: WUECXCBONAGRSA-UHFFFAOYSA-N
    InChI: InChI=1S/C21H28N4O3/c1-24(16-6-3-2-4-7-16)20(27)8-5-11-28-17-9-10-18-15(12-17)13-25-14-19(26)23-21(25)22-18/h9-10,12,16H,2-8,11,13-14H2,1H3,(H,22,23,26)
  4. 替卡格雷
    CAS号 : 274693-27-5        Compound CID : 9871419
    分子式: C23H28F2N6O4S        分子量: 522.57
    IUPAC Name: (1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
    SMILES: CCCSC1=NC(=C2C(=N1)N(N=N2)C3CC(C(C3O)O)OCCO)NC4CC4C5=CC(=C(C=C5)F)F
    InChIKey: OEKWJQXRCDYSHL-FNOIDJSQSA-N
    InChI: InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1
  5. 钙离子载体 A23187
      规格或纯度 :
    • ≥97%
    CAS号 : 52665-69-7        Compound CID : 11957499
    分子式: C29H37N3O6        分子量: 523.62
    IUPAC Name: 5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid
    SMILES: CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC
    InChIKey: HIYAVKIYRIFSCZ-CYEMHPAKSA-N
    InChI: InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-,17-,18-,22-,27+,29+/m1/s1
  6. 腺苷 5′-二磷酸 (ADP)
    CAS号 : 58-64-0        Compound CID : 6022
    分子式: C10H15N5O10P2        分子量: 427.2
    IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
    SMILES: Nc1ncnc2n(cnc12)[C@@H]3O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O
    InChIKey: XTWYTFMLZFPYCI-KQYNXXCUSA-N
    InChI: InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
  7. 白三烯E4
      规格或纯度 :
    • Moligand™
    • ≥97%
    • 100ug/ml in ethanol
    CAS号 : 75715-89-8        Compound CID : 5280879
    分子式: C23H37NO5S        分子量: 439.61
    IUPAC Name: (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-2-carboxyethyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
    SMILES: CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)O)N
    InChIKey: OTZRAYGBFWZKMX-FRFVZSDQSA-N
    InChI: InChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1
  8. PSB 0739,P2Y12拮抗剂
    CAS号 : 1052087-90-7        Compound CID : 44583582
    分子式: C26H17N3Na2O8S2        分子量: 609.54
    IUPAC Name: disodium;1-amino-4-(4-anilino-3-sulfonatoanilino)-9,10-dioxoanthracene-2-sulfonate
    SMILES: C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
    InChIKey: QBLLYXXXOJUNCV-UHFFFAOYSA-L
    InChI: InChI=1S/C26H19N3O8S2.2Na/c27-24-21(39(35,36)37)13-19(22-23(24)26(31)17-9-5-4-8-16(17)25(22)30)29-15-10-11-18(20(12-15)38(32,33)34)28-14-6-2-1-3-7-14;;/h1-13,28-29H,27H2,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2
  9. AZD 1283,P2Y12拮抗剂
    CAS号 : 919351-41-0        Compound CID : 23649325
    分子式: C23H26N4O5S        分子量: 470.54
    IUPAC Name: ethyl 6-[4-(benzylsulfonylcarbamoyl)piperidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate
    SMILES: CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)C
    InChIKey: NEMHKCNXXRQYRF-UHFFFAOYSA-N
    InChI: InChI=1S/C23H26N4O5S/c1-3-32-23(29)20-13-19(14-24)21(25-16(20)2)27-11-9-18(10-12-27)22(28)26-33(30,31)15-17-7-5-4-6-8-17/h4-8,13,18H,3,9-12,15H2,1-2H3,(H,26,28)
  10. 腺苷-5’-二磷酸
    CAS号 : 58-64-0        Compound CID : 6022
    分子式: C10H15N5O10P2        分子量: 427.2
    IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
    SMILES: Nc1ncnc2n(cnc12)[C@@H]3O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O
    InChIKey: XTWYTFMLZFPYCI-KQYNXXCUSA-N
    InChI: InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
  11. (4S)-4-({5-[1-(ethoxycarbonyl)cyclobutoxy]-1-phenyl-1H-pyrazol-3-yl}formamido)-5-[4-(ethoxycarbonyl)piperazin-1-yl]-5-oxopentanoic acid
           Compound CID : 44126037
    IUPAC Name: (4S)-4-({5-[1-(ethoxycarbonyl)cyclobutoxy]-1-phenyl-1H-pyrazol-3-yl}formamido)-5-[4-(ethoxycarbonyl)piperazin-1-yl]-5-oxopentanoic acid
    SMILES: CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1cc(n(n1)c1ccccc1)OC1(CCC1)C(=O)OCC)CCC(=O)O
    InChIKey: HPSHQEAEJMOGDO-NRFANRHFSA-N
    InChI: InChI=1S/C29H37N5O9/c1-3-41-27(39)29(13-8-14-29)43-23-19-22(31-34(23)20-9-6-5-7-10-20)25(37)30-21(11-12-24(35)36)26(38)32-15-17-33(18-16-32)28(40)42-4-2/h5-7,9-10,19,21H,3-4,8,11-18H2,1-2H3,(H,30,37)(H,35,36)/t21-/m0/s1
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