小分子和化合物库
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VUF 10460,H4激动剂CAS号 : 1028327-66-3 Compound CID : 25129523分子式: C15H19N5 分子量: 269.34IUPAC Name: 4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amineSMILES: CN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)NInChIKey: NIJGWJIOMPHDBP-UHFFFAOYSA-NInChI: InChI=1S/C15H19N5/c1-19-7-9-20(10-8-19)14-11-13(17-15(16)18-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,16,17,18)
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碘苯丙酮二氢溴化物CAS号 : 145196-87-8 Compound CID : 24978528分子式: C15H19IN4S•2HBr 分子量: 576.13IUPAC Name: 3-(1H-imidazol-5-yl)propyl N'-[2-(4-iodophenyl)ethyl]carbamimidothioate;dihydrobromideSMILES: C1=CC(=CC=C1CCN=C(N)SCCCC2=CN=CN2)I.Br.BrInChIKey: BOSOGNBLIWPCMS-UHFFFAOYSA-NInChI: InChI=1S/C15H19IN4S.2BrH/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14;;/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20);2*1H
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A 987306,H4拮抗剂CAS号 : 1082954-71-9 Compound CID : 44538833分子式: C18H25N5O 分子量: 327.42IUPAC Name: (7aR,11aR)-4-piperazin-1-yl-5,6,7a,8,9,10,11,11a-octahydro-[1]benzofuro[2,3-h]quinazolin-2-amineSMILES: C1CCC2C(C1)C3=C(O2)CCC4=C3N=C(N=C4N5CCNCC5)NInChIKey: DJKJVWJQAVGLHJ-WCQYABFASA-NInChI: InChI=1S/C18H25N5O/c19-18-21-16-12(17(22-18)23-9-7-20-8-10-23)5-6-14-15(16)11-3-1-2-4-13(11)24-14/h11,13,20H,1-10H2,(H2,19,21,22)/t11-,13+/m0/s1
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JNJ-7777120CAS号 : 459168-41-3(DMSO)分子式: C14H16ClN3O 分子量: 277.75SMILES: CN1CCN(CC1)C(=O)C2=CC3=CC(=CC=C3[NH]2)Cl
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氯氮平CAS号 : 5786-21-0(DMSO)分子式: C18H19ClN4 分子量: 326.82SMILES: CN1CCN(CC1)C2=NC3=C(NC4=C2C=CC=C4)C=CC(=C3)Cl
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硝苯地平CAS号 : 21829-25-4(DMSO)分子式: C17H18N2O6 分子量: 346.33SMILES: COC(=O)C1=C(C)NC(=C(C1C2=C(C=CC=C2)[N+]([O-])=O)C(=O)OC)C
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VUF 10460CAS号 : 1028327-66-3 Compound CID : 25129523分子式: C15H19N5 分子量: 269.34IUPAC Name: 4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amineSMILES: CN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)NInChIKey: NIJGWJIOMPHDBP-UHFFFAOYSA-NInChI: InChI=1S/C15H19N5/c1-19-7-9-20(10-8-19)14-11-13(17-15(16)18-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,16,17,18)
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1H-Imidazole-4-propanamineCAS号 : 40546-33-6 Compound CID : 170389分子式: C6H11N3 分子量: 125.17IUPAC Name: 3-(1H-imidazol-5-yl)propan-1-amineSMILES: C1=C(NC=N1)CCCNInChIKey: IHDFTEVCMVTMSP-UHFFFAOYSA-NInChI: InChI=1S/C6H11N3/c7-3-1-2-6-4-8-5-9-6/h4-5H,1-3,7H2,(H,8,9)
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4-(4-Methylpiperazin-1-YL)pyrimidin-2-amineCAS号 : 856973-81-4 Compound CID : 25128833分子式: C9H15N5 分子量: 193.25IUPAC Name: 4-(4-methylpiperazin-1-yl)pyrimidin-2-amineSMILES: CN1CCN(CC1)C2=NC(=NC=C2)NInChIKey: XEKHYAPKOUIALX-UHFFFAOYSA-NInChI: InChI=1S/C9H15N5/c1-13-4-6-14(7-5-13)8-2-3-11-9(10)12-8/h2-3H,4-7H2,1H3,(H2,10,11,12)
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硝苯地平CAS号 : 21829-25-4 Compound CID : 4485分子式: C17H18N2O6 分子量: 346.33IUPAC Name: dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateSMILES: CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCInChIKey: HYIMSNHJOBLJNT-UHFFFAOYSA-NInChI: InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3
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