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小分子和化合物库
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(+)-假木贼碱盐酸盐CAS号: 53912-89-3分子式: C10H15ClN2 分子量: 198.69IUPAC Name: 3-[(2S)-piperidin-2-yl]pyridine;hydrochlorideSMILES: C1CCNC(C1)C2=CN=CC=C2.ClInChIKey: VTMZQNZVYCJLGG-PPHPATTJSA-NInChI: 1S/C10H14N2.ClH/c1-2-7-12-10(5-1)9-4-3-6-11-8-9;/h3-4,6,8,10,12H,1-2,5,7H2;1H/t10-;/m0./s1
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拉曲吡啶二盐酸盐CAS号: 97657-92-6 Compound CID : 23729232分子式: C21H25N3·2HCl 分子量: 392.37IUPAC Name: 2,8-dimethyl-5-[2-(6-methylpyridin-3-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;dihydrochlorideSMILES: CC1=CC2=C(C=C1)N(C3=C2CN(CC3)C)CCC4=CN=C(C=C4)C.Cl.ClInChIKey: GTWLIQOLGOZTLF-UHFFFAOYSA-NInChI: 1S/C21H25N3.2ClH/c1-15-4-7-20-18(12-15)19-14-23(3)10-9-21(19)24(20)11-8-17-6-5-16(2)22-13-17;;/h4-7,12-13H,8-11,14H2,1-3H3;2*1H
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Mastoparan 17,蜂毒肽CAS号: 145854-61-1分子式: C70H132N20O15 分子量: 1493.92IUPAC Name: See more
SMILES: CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)N)NInChIKey: TUCDQOGRFHOSKG-ZWFWRLIFSA-NInChI: See more -
Mc-MMAD，强效微管蛋白抑制剂CAS号: 1401963-15-2 Compound CID : 78357802分子式: C51H77N7O9S 分子量: 964.26IUPAC Name: See more SMILES: CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)CCCCCN4C(=O)C=CC4=OInChIKey: OZUQLKHIIRUJRZ-PGBUMTRMSA-NInChI: See more
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NucleozinCAS号: 341001-38-5分子式: C21H19ClN4O4 分子量: 426.85IUPAC Name: [4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanoneSMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])ClInChIKey: OWXBJAPOSQSWAO-UHFFFAOYSA-NInChI: 1S/C21H19ClN4O4/c1-14-19(20(23-30-14)15-5-3-2-4-6-15)21(27)25-11-9-24(10-12-25)18-8-7-16(26(28)29)13-17(18)22/h2-8,13H,9-12H2,1H3
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双羟萘酸噻嘧啶CAS号: 22204-24-6 EC号: 244-837-1分子式: C11H14N2S·C23H16O6 分子量: 594.68IUPAC Name: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidineSMILES: CN1CCCN=C1C=CC2=CC=CS2.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)OInChIKey: AQXXZDYPVDOQEE-MXDQRGINSA-NInChI: See more
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枸橼酸喷托维林CAS号: 23142-01-0分子式: C20H31NO3·C6H8O7 分子量: 525.59IUPAC Name: 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate;2-hydroxypropane-1,2,3-tricarboxylic acidSMILES: CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)OInChIKey: AKJDEXBCRLOVTH-UHFFFAOYSA-NInChI: 1S/C20H31NO3.C6H8O7/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
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PF-2545920,PDE10A抑制剂CAS号: 1292799-56-4分子式: C25H20N4O 分子量: 392.45IUPAC Name: 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinolineSMILES: CN1C=C(C(=N1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=NC=C5InChIKey: AZEXWHKOMMASPA-UHFFFAOYSA-NInChI: 1S/C25H20N4O/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3
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Ro 31-8220 甲磺酸盐CAS号: 138489-18-6 Compound CID : 11628205分子式: C25H23N5O2S·CH4O3S 分子量: 553.65IUPAC Name: methanesulfonic acid;3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl carbamimidothioateSMILES: CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCSC(=N)N.CS(=O)(=O)OInChIKey: SAWVGDJBSPLRRB-UHFFFAOYSA-NInChI: See more
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SD-06,p38α MAPK 的二芳基吡唑抑制剂CAS号: 271576-80-8 Compound CID : 9865587分子式: C20H20ClN5O2 分子量: 397.87IUPAC Name: 1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanoneSMILES: C1CN(CCC1C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4)C(=O)COInChIKey: CATQHDWESBRRQA-UHFFFAOYSA-NInChI: 1S/C20H20ClN5O2/c21-15-3-1-13(2-4-15)19-18(16-5-8-22-12-23-16)20(25-24-19)14-6-9-26(10-7-14)17(28)11-27/h1-5,8,12,14,27H,6-7,9-11H2,(H,24,25)
