小分子和化合物库
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S-(羧甲基)-L-半胱氨酸分子式: C5H9NO4S 分子量: 179.19IUPAC Name: (2R)-2-amino-3-(carboxymethylsulfanyl)propanoic acidSMILES: N[C@@H](CSCC(O)=O)C(O)=OInChIKey: GBFLZEXEOZUWRN-VKHMYHEASA-NInChI: 1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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三氟拉嗪二盐酸盐分子式: C21H24F3N3S·2HCl 分子量: 480.42IUPAC Name: 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;dihydrochlorideSMILES: CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.Cl.ClInChIKey: BXDAOUXDMHXPDI-UHFFFAOYSA-NInChI: 1S/C21H24F3N3S.2ClH/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24;;/h2-3,5-8,15H,4,9-14H2,1H3;2*1H
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乌拉地尔CAS号: 34661-75-1 Compound CID : 5639分子式: C20H29N5O3 分子量: 387.48IUPAC Name: 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dioneSMILES: CN1C(=CC(=O)N(C1=O)C)NCCCN2CCN(CC2)C3=CC=CC=C3OCInChIKey: ICMGLRUYEQNHPF-UHFFFAOYSA-NInChI: 1S/C20H29N5O3/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3/h4-5,7-8,15,21H,6,9-14H2,1-3H3
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替硝唑CAS号: 19387-91-8 Compound CID : 5479分子式: C8H13N3O4S 分子量: 247.27IUPAC Name: 1-(2-ethylsulfonylethyl)-2-methyl-5-nitroimidazoleSMILES: CCS(=O)(=O)CCN1C(=NC=C1[N+](=O)[O-])CInChIKey: HJLSLZFTEKNLFI-UHFFFAOYSA-NInChI: 1S/C8H13N3O4S/c1-3-16(14,15)5-4-10-7(2)9-6-8(10)11(12)13/h6H,3-5H2,1-2H3
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2,3-二氢-2,2,6-三甲基苯甲醛CAS号: 116-26-7分子式: C10H14O 分子量: 150.22IUPAC Name: 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehydeSMILES: CC1=C(C(CC=C1)(C)C)C=OInChIKey: SGAWOGXMMPSZPB-UHFFFAOYSA-NInChI: 1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3
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水飞蓟素CAS号: 65666-07-1 Compound CID : 5213分子式: C25H22O10 分子量: 482.44IUPAC Name: 3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-oneSMILES: COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)OInChIKey: SEBFKMXJBCUCAI-UHFFFAOYSA-NInChI: 1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3
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ATP-γ-S,激酶底物CAS号: 93839-89-5分子式: C10H12Li4N5O12P3S 分子量: 546.98IUPAC Name: tetralithium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] dioxidophosphinothioyl phosphateSMILES: [Li+].[Li+].[Li+].[Li+].C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=S)([O-])[O-])O)O)NInChIKey: DWQFDOIBOYDYKH-KWIZKVQNSA-JInChI: See more
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