化学生物学
选项
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4-氨基-N-(2-二乙氨基乙基)苯甲酰胺分子式: C13H21N3O 分子量: 235.33IUPAC Name: 4-amino-N-[2-(diethylamino)ethyl]benzamideSMILES: CCN(CC)CCNC(=O)C1=CC=C(C=C1)NInChIKey: REQCZEXYDRLIBE-UHFFFAOYSA-NInChI: InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)
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4-(4-氟苯酚)-2-嘧啶CAS号 : 155957-43-0 Compound CID : 1474642分子式: C10H7FN2S 分子量: 206.243IUPAC Name: 6-(4-fluorophenyl)-1H-pyrimidine-2-thioneSMILES: C1=CC(=CC=C1C2=CC=NC(=S)N2)FInChIKey: IKNROSDVLWITKJ-UHFFFAOYSA-NInChI: InChI=1S/C10H7FN2S/c11-8-3-1-7(2-4-8)9-5-6-12-10(14)13-9/h1-6H,(H,12,13,14)
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氟西汀CAS号 : 54910-89-3分子式: C17H18F3NO 分子量: 309.33IUPAC Name: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amineSMILES: CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)FInChIKey: RTHCYVBBDHJXIQ-UHFFFAOYSA-NInChI: InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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1-苄基-4-(5,6-二甲氧基-1-氧杂茚满-2-基茚甲基)哌啶CAS号 : 120014-07-5 Compound CID : 10762160分子式: C24H27NO3 分子量: 377.5IUPAC Name: (2E)-2-[(1-benzylpiperidin-4-yl)methylidene]-5,6-dimethoxy-3H-inden-1-oneSMILES: COC1=C(C=C2C(=C1)CC(=CC3CCN(CC3)CC4=CC=CC=C4)C2=O)OCInChIKey: LPMOTUSFDTTWJL-UDWIEESQSA-NInChI: InChI=1S/C24H27NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,12,14-15,17H,8-11,13,16H2,1-2H3/b20-12+
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多奈哌齐盐酸盐一水合物CAS号 : 884740-09-4 Compound CID : 11697764分子式: C24H32ClNO4 分子量: 434IUPAC Name: 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;hydrate;hydrochlorideSMILES: COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC.O.ClInChIKey: HLJIZAKUNCTCQX-UHFFFAOYSA-NInChI: InChI=1S/C24H29NO3.ClH.H2O/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18;;/h3-7,14-15,17,20H,8-13,16H2,1-2H3;1H;1H2
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2-氨基-4-(2-萘基)噻唑CAS号 : 21331-43-1 Compound CID : 673702分子式: C13H10N2S 分子量: 226.302IUPAC Name: 4-naphthalen-2-yl-1,3-thiazol-2-amineSMILES: C1=CC=C2C=C(C=CC2=C1)C3=CSC(=N3)NInChIKey: GWDNDNTTXIIXRS-UHFFFAOYSA-NInChI: InChI=1S/C13H10N2S/c14-13-15-12(8-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H2,14,15)
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Z-苯丙酰胺-丙氨酸-OHCAS号 : 21881-18-5 Compound CID : 152128分子式: C20H22N2O5 分子量: 370.4IUPAC Name: (2S)-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acidSMILES: CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2InChIKey: LEJTXQOVOPDGHS-YOEHRIQHSA-NInChI: InChI=1S/C20H22N2O5/c1-14(19(24)25)21-18(23)17(12-15-8-4-2-5-9-15)22-20(26)27-13-16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,21,23)(H,22,26)(H,24,25)/t14-,17-/m0/s1