小分子和化合物库
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BYK 191023二盐酸盐CAS号: 1216722-25-6 Compound CID : 56972216分子式: C14H14N4O • 2HCl 分子量: 327.2IUPAC Name: 2-[2-(4-methoxypyridin-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine;dihydrochlorideSMILES: COC1=CC(=NC=C1)CCC2=NC3=C(N2)C=CC=N3.Cl.ClInChIKey: ZVNITETZYOKESF-UHFFFAOYSA-NInChI: 1S/C14H14N4O.2ClH/c1-19-11-6-8-15-10(9-11)4-5-13-17-12-3-2-7-16-14(12)18-13;;/h2-3,6-9H,4-5H2,1H3,(H,16,17,18);2*1H
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2'-脱氧胞苷-5'-三磷酸[dCTP]三钠盐溶液CAS号: 109909-44-6 Compound CID : 53486366分子式: C9H13N3Na3O13P3 分子量: 533.10IUPAC Name: trisodium;[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphateSMILES: C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O.[Na+].[Na+].[Na+]InChIKey: WBIPTAOOMJEGQO-MILVPLDLSA-KInChI: See more
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(-)-双甲胆碱CAS号: 53552-05-9分子式: C21H20ClNO6 分子量: 417.84IUPAC Name: (6S)-6-[(5R)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one;chlorideSMILES: C[N+]1(CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C.[Cl-]InChIKey: RLJKFAMYSYWMND-VOMIJIAVSA-MInChI: 1S/C21H20NO6.ClH/c1-22(2)6-5-11-7-15-16(26-9-25-15)8-13(11)18(22)19-12-3-4-14-20(27-10-24-14)17(12)21(23)28-19;/h3-4,7-8,18-19H,5-6,9-10H2,1-2H3;1H/q+1;/p-1/t18-,19+;/m1./s1
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AGK7,SIRT2抑制剂CAS号: 304896-21-7分子式: C23H13Cl2N3O2 分子量: 434.3IUPAC Name: 2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-quinolin-8-ylprop-2-enamideSMILES: C1=CC2=C(C(=C1)NC(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)Cl)Cl)C#N)N=CC=C2InChIKey: WRDKBSLEHFRKGG-UHFFFAOYSA-NInChI: 1S/C23H13Cl2N3O2/c24-16-6-8-19(25)18(12-16)21-9-7-17(30-21)11-15(13-26)23(29)28-20-5-1-3-14-4-2-10-27-22(14)20/h1-12H,(H,28,29)
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(-)-MK 801马来酸酯CAS号: 77086-19-2 Compound CID : 16219612分子式: C16H15N.C4H4O4 分子量: 337.37SMILES: C[C@]12C3=CC=CC=C3C[C@H](N1)C4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O
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A 943931二盐酸盐CAS号: 1227675-50-4 Compound CID : 56972240分子式: C17H21N5.2HCl 分子量: 368.31IUPAC Name: 6-[(3R)-3-aminopyrrolidin-1-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine;dihydrochlorideSMILES: C1CC2=CC=CC=C2C3=C(C1)C(=NC(=N3)N)N4CCC(C4)N.Cl.ClInChIKey: ISYUFRNZHUOGLA-CURYUGHLSA-NInChI: 1S/C17H21N5.2ClH/c18-12-8-9-22(10-12)16-14-7-3-5-11-4-1-2-6-13(11)15(14)20-17(19)21-16;;/h1-2,4,6,12H,3,5,7-10,18H2,(H2,19,20,21);2*1H/t12-;;/m1../s1
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A 61603 氢溴酸盐CAS号: 107756-30-9分子式: C14H20BrN3O3S 分子量: 389.31IUPAC Name: N-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide;hydrobromideSMILES: CS(=O)(=O)NC1=C(C=CC2=C1CCCC2C3=NCCN3)O.BrInChIKey: LRFLWCZMTGTUEP-UHFFFAOYSA-NInChI: 1S/C14H19N3O3S.BrH/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18;/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16);1H
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(-)-MK 801马来酸酯CAS号: 77086-19-2 Compound CID : 16219612分子式: C16H15N.C4H4O4 分子量: 337.37SMILES: C[C@]12C3=CC=CC=C3C[C@H](N1)C4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O
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