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小分子和化合物库
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脱甲基YM298198盐酸盐CAS号 : 299901-57-8 Compound CID : 11716890分子式: C17H20N4OS.HCl 分子量: 364.89IUPAC Name: 7-amino-N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamideSMILES: CC1=C(SC2=NC3=C(N12)C=C(C=C3)N)C(=O)NC4CCCCC4InChIKey: VWOMTTIMBHBPBI-UHFFFAOYSA-NInChI: InChI=1S/C17H20N4OS/c1-10-15(16(22)19-12-5-3-2-4-6-12)23-17-20-13-8-7-11(18)9-14(13)21(10)17/h7-9,12H,2-6,18H2,1H3,(H,19,22)
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NNC 63-0532,非肽NOP激动剂CAS号 : 250685-44-0 Compound CID : 9803475分子式: C27H29N3O3 分子量: 443.54IUPAC Name: methyl 2-[8-(naphthalen-1-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetateSMILES: COC(=O)CN1CN(C2(C1=O)CCN(CC2)CC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5InChIKey: AQMPIDSGLFVVPL-UHFFFAOYSA-NInChI: InChI=1S/C27H29N3O3/c1-33-25(31)19-29-20-30(23-11-3-2-4-12-23)27(26(29)32)14-16-28(17-15-27)18-22-10-7-9-21-8-5-6-13-24(21)22/h2-13H,14-20H2,1H3
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CFMTICAS号 : 864864-17-5(DMSO)分子式: C19H16FN5O 分子量: 349.36SMILES: CC1=C(N=NN1C2=C(N=CC=C2)F)C3=CC4=C(C=C3)C(=O)N(C4)C5CC5
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CFMTICAS号 : 864864-17-5 Compound CID : 11175501分子式: C19H16FN5O 分子量: 349.36IUPAC Name: 2-cyclopropyl-5-[1-(2-fluoropyridin-3-yl)-5-methyltriazol-4-yl]-3H-isoindol-1-oneSMILES: CC1=C(N=NN1C2=C(N=CC=C2)F)C3=CC4=C(C=C3)C(=O)N(C4)C5CC5InChIKey: XZBFQWRAIYRPPZ-UHFFFAOYSA-NInChI: InChI=1S/C19H16FN5O/c1-11-17(22-23-25(11)16-3-2-8-21-18(16)20)12-4-7-15-13(9-12)10-24(19(15)26)14-5-6-14/h2-4,7-9,14H,5-6,10H2,1H3
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9-(Dimethylamino)-3-(4-methoxyphenyl)-4-pyrido[1,2]thieno[3,4-d]pyrimidinoneCAS号 : 159583-16-1 Compound CID : 1208332分子式: C18H16N4O2S 分子量: 352.4IUPAC Name: 13-(dimethylamino)-5-(4-methoxyphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-oneSMILES: CN(C)C1=C2C3=C(C(=O)N(C=N3)C4=CC=C(C=C4)OC)SC2=NC=C1InChIKey: COQPVKMATNFNLG-UHFFFAOYSA-NInChI: InChI=1S/C18H16N4O2S/c1-21(2)13-8-9-19-17-14(13)15-16(25-17)18(23)22(10-20-15)11-4-6-12(24-3)7-5-11/h4-10H,1-3H3
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9-(dimethylamino)-3-(4-methylphenyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one分子式: C18H16N4OS 分子量: 336.4IUPAC Name: 13-(dimethylamino)-5-(4-methylphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-oneSMILES: CC1=CC=C(C=C1)N2C=NC3=C(C2=O)SC4=NC=CC(=C34)N(C)CInChIKey: TUKBLRJBXIQJPU-UHFFFAOYSA-NInChI: InChI=1S/C18H16N4OS/c1-11-4-6-12(7-5-11)22-10-20-15-14-13(21(2)3)8-9-19-17(14)24-16(15)18(22)23/h4-10H,1-3H3
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9-(dimethylamino)-3-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-oneCompound CID : 699222分子式: C17H14N4OS 分子量: 322.4IUPAC Name: 13-(dimethylamino)-5-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-oneSMILES: CN(C)C1=C2C3=C(C(=O)N(C=N3)C4=CC=CC=C4)SC2=NC=C1InChIKey: ADOZDJQXPOGXEV-UHFFFAOYSA-NInChI: InChI=1S/C17H14N4OS/c1-20(2)12-8-9-18-16-13(12)14-15(23-16)17(22)21(10-19-14)11-6-4-3-5-7-11/h3-10H,1-2H3
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6-methoxy-N-(4-methoxyphenyl)quinazolin-4-amineCompound CID : 9926999分子式: C16H15N3O2 分子量: 281.31IUPAC Name: 6-methoxy-N-(4-methoxyphenyl)quinazolin-4-amineSMILES: COC1=CC=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)OCInChIKey: XPJOMFBGKIABQW-UHFFFAOYSA-NInChI: InChI=1S/C16H15N3O2/c1-20-12-5-3-11(4-6-12)19-16-14-9-13(21-2)7-8-15(14)17-10-18-16/h3-10H,1-2H3,(H,17,18,19)
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MPEP,mGlu 5拮抗剂CAS号 : 96206-92-7 Compound CID : 3025961分子式: C14H11N 分子量: 193.24IUPAC Name: 2-methyl-6-(2-phenylethynyl)pyridineSMILES: CC1=NC(=CC=C1)C#CC2=CC=CC=C2InChIKey: NEWKHUASLBMWRE-UHFFFAOYSA-NInChI: InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
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脑帕多CAS号 : 863513-91-1 Compound CID : 11848225分子式: C24H27FN2O 分子量: 378.48IUPAC Name: 6-fluoro-N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amineSMILES: CN(C)C1(CCC2(CC1)C3=C(CCO2)C4=C(N3)C=CC(=C4)F)C5=CC=CC=C5InChIKey: CSMVOZKEWSOFER-UHFFFAOYSA-NInChI: InChI=1S/C24H27FN2O/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22/h3-9,16,26H,10-15H2,1-2H3
