小分子和化合物库
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7-木糖基紫杉醇CAS号: 90332-66-4 Compound CID : 11094265分子式: C52H59NO18 分子量: 986.02IUPAC Name: See moreSMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OC8C(C(C(CO8)O)O)O)C)OC(=O)CInChIKey: ZVEGOBHUZTXSFK-TZIKQHFSSA-NInChI: See more
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9-氨基喜树碱CAS号: 91421-43-1分子式: C20H17N3O4 分子量: 363.37IUPAC Name: (19S)-8-amino-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dioneSMILES: CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)OInChIKey: FUXVKZWTXQUGMW-FQEVSTJZSA-NInChI: 1S/C20H17N3O4/c1-2-20(26)13-7-16-17-10(6-11-14(21)4-3-5-15(11)22-17)8-23(16)18(24)12(13)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3/t20-/m0/s1
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BAPTA-AMCAS号: 126150-97-8分子式: C34H40N2O18 分子量: 764.68IUPAC Name: acetyloxymethyl 2-[N-[2-(acetyloxymethoxy)-2-oxoethyl]-2-[2-[2-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]phenoxy]ethoxy]anilino]acetateSMILES: CC(=O)OCOC(=O)CN(CC(=O)OCOC(=O)C)C1=CC=CC=C1OCCOC2=CC=CC=C2N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)CInChIKey: YJIYWYAMZFVECX-UHFFFAOYSA-NInChI: 1S/C34H40N2O18/c1-23(37)47-19-51-31(41)15-35(16-32(42)52-20-48-24(2)38)27-9-5-7-11-29(27)45-13-14-46-30-12-8-6-10-28(30)36(17-33(43)53-21-49-25(3)39)18-34(44)54-22-50-26(4)40/h5-12H,13-22H2,1-4H3
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胞苷-5'-三磷酸二钠盐分子式: C9H14N3Na2O14P3 分子量: 527.12IUPAC Name: disodium;[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphateSMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OP(=O)(O)[O-])O)O.[Na+].[Na+]InChIKey: NFQMDTRPCFJJND-WFIJOQBCSA-LInChI: See more
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顺-5-降冰片烯-外型-2,3-二甲酸酐分子式: C9H8O3 分子量: 164.16IUPAC Name: (1S,2S,6R,7R)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dioneSMILES: C1C2C=CC1C3C2C(=O)OC3=OInChIKey: KNDQHSIWLOJIGP-RNGGSSJXSA-NInChI: 1S/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-7H,3H2/t4-,5+,6+,7-
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头孢噻呋盐酸盐CAS号: 103980-44-5分子式: C19H17N5O7S3.HCl 分子量: 560.02IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrochlorideSMILES: CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC(=O)C4=CC=CO4)C(=O)O.ClInChIKey: KEQFDTJEEQKVLM-JUODUXDSSA-NInChI: See more
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CYT997(Lexibulin),抑制剂CAS号: 917111-44-5分子式: C24H30N6O2 分子量: 434.53IUPAC Name: 1-ethyl-3-[2-methoxy-4-[5-methyl-4-[[(1S)-1-pyridin-3-ylbutyl]amino]pyrimidin-2-yl]phenyl]ureaSMILES: CCCC(C1=CN=CC=C1)NC2=NC(=NC=C2C)C3=CC(=C(C=C3)NC(=O)NCC)OCInChIKey: MTJHLONVHHPNSI-IBGZPJMESA-NInChI: 1S/C24H30N6O2/c1-5-8-19(18-9-7-12-25-15-18)28-22-16(3)14-27-23(30-22)17-10-11-20(21(13-17)32-4)29-24(31)26-6-2/h7,9-15,19H,5-6,8H2,1-4H3,(H2,26,29,31)(H,27,28,30)/t19-/m0/s1
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Daun02CAS号: 290304-24-4 Compound CID : 74891316分子式: C41H44N2O20 分子量: 884.79IUPAC Name: See moreSMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)NC(=O)OCC6=CC(=C(C=C6)OC7C(C(C(C(O7)CO)O)O)O)[N+](=O)[O-])OInChIKey: BOIXMGNMIWJAEW-LCTCPDETSA-NInChI: See more
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D-葡萄糖基-β1-1'-D-赤型-鞘氨醇CAS号: 52050-17-6分子式: C24H47NO7 分子量: 461.632IUPAC Name: (2R,3R,4S,5S,6R)-2-[(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triolSMILES: CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)O)O)N)OInChIKey: HHJTWTPUPVQKNA-JIAPQYILSA-NInChI: 1S/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3/b15-14+/t18-,19+,20+,21+,22-,23+,24+/m0/s1
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泮托拉唑硫酸盐CAS号: 102625-64-9分子式: C16H15F2N3O3S 分子量: 367.37IUPAC Name: 6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]-1H-benzimidazoleSMILES: COC1=C(C(=NC=C1)CSC2=NC3=C(N2)C=C(C=C3)OC(F)F)OCInChIKey: UKILEIRWOYBGEJ-UHFFFAOYSA-NInChI: 1S/C16H15F2N3O3S/c1-22-13-5-6-19-12(14(13)23-2)8-25-16-20-10-4-3-9(24-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)
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