小分子和化合物库
选项
-
UCL 2077,慢速超极化(sAHP)通道阻滞剂CAS号: 918311-87-2 Compound CID : 24868317分子式: C25H22N2 分子量: 350.46IUPAC Name: 1,1,1-triphenyl-N-(pyridin-3-ylmethyl)methanamineSMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NCC4=CN=CC=C4InChIKey: PQFNWDHABGBCHB-UHFFFAOYSA-NInChI: 1S/C25H22N2/c1-4-12-22(13-5-1)25(23-14-6-2-7-15-23,24-16-8-3-9-17-24)27-20-21-11-10-18-26-19-21/h1-19,27H,20H2
-
TC-H 106,I类组蛋白脱乙酰基酶抑制剂CAS号: 937039-45-7 Compound CID : 16070100分子式: C20H25N3O2 分子量: 339.43IUPAC Name: N'-(2-aminophenyl)-N-(4-methylphenyl)heptanediamideSMILES: CC1=CC=C(C=C1)NC(=O)CCCCCC(=O)NC2=CC=CC=C2NInChIKey: WTKBRPXPNAKVEQ-UHFFFAOYSA-NInChI: 1S/C20H25N3O2/c1-15-11-13-16(14-12-15)22-19(24)9-3-2-4-10-20(25)23-18-8-6-5-7-17(18)21/h5-8,11-14H,2-4,9-10,21H2,1H3,(H,22,24)(H,23,25)
-
SB 699551 dihydrochlorideCAS号: 864741-95-7 Compound CID : 11983346分子式: C34H45N3O•2HCl 分子量: 584.66IUPAC Name: 3-cyclopentyl-N-[2-(dimethylamino)ethyl]-N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]propanamide;dihydrochlorideSMILES: CN(C)CCN(CC1=CC=C(C=C1)C2=CC=C(C=C2)CNCCC3=CC=CC=C3)C(=O)CCC4CCCC4.Cl.ClInChIKey: QJMKBIHLMPTYTI-UHFFFAOYSA-NInChI: 1S/C34H45N3O.2ClH/c1-36(2)24-25-37(34(38)21-16-28-10-6-7-11-28)27-31-14-19-33(20-15-31)32-17-12-30(13-18-32)26-35-23-22-29-8-4-3-5-9-29;;/h3-5,8-9,12-15,17-20,28,35H,6-7,10-11,16,21-27H2,1-2H3;2*1H
-
RCM 1,FOXM1抑制剂CAS号: 339163-65-4 Compound CID : 4273985分子式: C20H12N2OS4 分子量: 424.58IUPAC Name: 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-4,6-dithiophen-2-ylpyridine-3-carbonitrileSMILES: C1=CSC(=C1)C2=CC(=NC(=C2C#N)SCC(=O)C3=CC=CS3)C4=CC=CS4InChIKey: DCCYTKKDAZEVLY-UHFFFAOYSA-NInChI: 1S/C20H12N2OS4/c21-11-14-13(17-4-1-7-24-17)10-15(18-5-2-8-25-18)22-20(14)27-12-16(23)19-6-3-9-26-19/h1-10H,12H2
-
MS 245 草酸盐CAS号: 275363-58-1分子式: C19H22N2O3S•C2H2O4 分子量: 448.5IUPAC Name: 2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine;oxalic acidSMILES: CN(C)CCC1=CN(C2=C1C=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)OInChIKey: BLSWAEGCRSFTJG-UHFFFAOYSA-NInChI: 1S/C19H22N2O3S.C2H2O4/c1-20(2)12-11-15-14-21(19-10-9-16(24-3)13-18(15)19)25(22,23)17-7-5-4-6-8-17;3-1(4)2(5)6/h4-10,13-14H,11-12H2,1-3H3;(H,3,4)(H,5,6)
-
L-701,252,NMDA拮抗剂CAS号: 151057-13-5分子式: C13H10ClNO3 分子量: 263.68IUPAC Name: 7-chloro-3-(cyclopropanecarbonyl)-4-hydroxy-1H-quinolin-2-oneSMILES: C1CC1C(=O)C2=C(C3=C(C=C(C=C3)Cl)NC2=O)OInChIKey: MXEFWCFPCLDOOG-UHFFFAOYSA-NInChI: 1S/C13H10ClNO3/c14-7-3-4-8-9(5-7)15-13(18)10(12(8)17)11(16)6-1-2-6/h3-6H,1-2H2,(H2,15,17,18)
-
KYA 1797KCAS号: 1956356-56-1分子式: C17H11KN2O6S2 分子量: 442.5IUPAC Name: potassium;3-[(5Z)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoateSMILES: C1=CC(=CC=C1C2=CC=C(O2)C=C3C(=O)N(C(=S)S3)CCC(=O)[O-])[N+](=O)[O-].[K+]InChIKey: PHUNRLYHXGMOLG-WQRRWHLMSA-MInChI: 1S/C17H12N2O6S2.K/c20-15(21)7-8-18-16(22)14(27-17(18)26)9-12-5-6-13(25-12)10-1-3-11(4-2-10)19(23)24;/h1-6,9H,7-8H2,(H,20,21);/q;+1/p-1/b14-9-;
-
(+)-JQ1 羧酸CAS号: 202592-23-2分子式: C19H17ClN4O2S 分子量: 400.88IUPAC Name: 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetic acidSMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)O)C4=CC=C(C=C4)Cl)CInChIKey: LJOSBOOJFIRCSO-AWEZNQCLSA-NInChI: 1S/C19H17ClN4O2S/c1-9-10(2)27-19-16(9)17(12-4-6-13(20)7-5-12)21-14(8-15(25)26)18-23-22-11(3)24(18)19/h4-7,14H,8H2,1-3H3,(H,25,26)/t14-/m0/s1
-
IQ 3,JNK3抑制剂CAS号: 312538-03-7分子式: C20H11N3O3 分子量: 341.32IUPAC Name: [(E)-indeno[1,2-b]quinoxalin-11-ylideneamino] furan-2-carboxylateSMILES: C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N=C3C2=NOC(=O)C5=CC=CO5InChIKey: WBSWWONMTZEOGS-PTGBLXJZSA-NInChI: 1S/C20H11N3O3/c24-20(16-10-5-11-25-16)26-23-18-13-7-2-1-6-12(13)17-19(18)22-15-9-4-3-8-14(15)21-17/h1-11H/b23-18+
-
GT 949,EAAT2的正变构调节剂CAS号: 460330-27-2分子式: C30H37N7O2 分子量: 527.66IUPAC Name: 3-[(4-cyclohexylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-oneSMILES: COC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3CCC4=CC=CC=C4)N5CCN(CC5)C6CCCCC6InChIKey: ZVWPOIUAPXDLMB-UHFFFAOYSA-NInChI: See more
-
CL 316243 二钠盐CAS号: 138908-40-4分子式: C20H18ClNNa2O7 分子量: 465.8IUPAC Name: disodium;5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylateSMILES: CC(CC1=CC2=C(C=C1)OC(O2)(C(=O)[O-])C(=O)[O-])NCC(C3=CC(=CC=C3)Cl)O.[Na+].[Na+]InChIKey: FUZBPOHHSBDTJQ-CFOQQKEYSA-LInChI: 1S/C20H20ClNO7.2Na/c1-11(22-10-15(23)13-3-2-4-14(21)9-13)7-12-5-6-16-17(8-12)29-20(28-16,18(24)25)19(26)27;;/h2-6,8-9,11,15,22-23H,7,10H2,1H3,(H,24,25)(H,26,27);;/q;2*+1/p-2/t11-,15+;;/m1../s1
-
首页
400-620-6333











