小分子和化合物库
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依利罗地CAS号 : 119431-25-3 Compound CID : 60703分子式: C20H23ClFNO 分子量: 347.85IUPAC Name: 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanolSMILES: C1CN(CCC1CC2=CC=C(C=C2)F)CC(C3=CC=C(C=C3)Cl)OInChIKey: GGUSQTSTQSHJAH-UHFFFAOYSA-NInChI: InChI=1S/C20H23ClFNO/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-16(10-12-23)13-15-1-7-19(22)8-2-15/h1-8,16,20,24H,9-14H2
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Ro 25-6981CAS号 : 169274-78-6 Compound CID : 6604887分子式: C22H29NO2 分子量: 339.47IUPAC Name: 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenolSMILES: CC(CN1CCC(CC1)CC2=CC=CC=C2)C(C3=CC=C(C=C3)O)OInChIKey: WVZSEUPGUDIELE-HTAPYJJXSA-NInChI: InChI=1S/C22H29NO2/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,17,19,22,24-25H,11-16H2,1H3/t17-,22+/m0/s1
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Ro 25-6981马来酸盐CAS号 : 169274-78-6 Compound CID : 6604887分子式: C22H29NO2 分子量: 339.47IUPAC Name: 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenolSMILES: CC(CN1CCC(CC1)CC2=CC=CC=C2)C(C3=CC=C(C=C3)O)OInChIKey: WVZSEUPGUDIELE-HTAPYJJXSA-NInChI: InChI=1S/C22H29NO2/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,17,19,22,24-25H,11-16H2,1H3/t17-,22+/m0/s1
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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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Clemizole分子式: C19H20ClN3 分子量: 325.84IUPAC Name: 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazoleSMILES: C1CCN(C1)CC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)ClInChIKey: CJXAEXPPLWQRFR-UHFFFAOYSA-NInChI: InChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2
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N-benzylbenzamidineCompound CID : 200369分子式: C14H14N2 分子量: 210.27IUPAC Name: N'-benzylbenzenecarboximidamideSMILES: C1=CC=C(C=C1)CN=C(C2=CC=CC=C2)NInChIKey: QZARWWZWTPDHPY-UHFFFAOYSA-NInChI: InChI=1S/C14H14N2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,15,16)
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2-phenyl-4-(piperidin-1-ylmethyl)-1H-benzimidazol-5-olCAS号 : 893772-64-0 Compound CID : 1394668分子式: C19H21N3O 分子量: 307.4IUPAC Name: 2-phenyl-4-(piperidin-1-ylmethyl)-1H-benzimidazol-5-olSMILES: C1CCN(CC1)CC2=C(C=CC3=C2N=C(N3)C4=CC=CC=C4)OInChIKey: FVHKIGHCUWTXCC-UHFFFAOYSA-NInChI: InChI=1S/C19H21N3O/c23-17-10-9-16-18(15(17)13-22-11-5-2-6-12-22)21-19(20-16)14-7-3-1-4-8-14/h1,3-4,7-10,23H,2,5-6,11-13H2,(H,20,21)
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EVT-101 free baseCAS号 : 627525-33-1 Compound CID : 22240172分子式: C16H13F3N4 分子量: 318.3IUPAC Name: 5-[3-(difluoromethyl)-4-fluorophenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazineSMILES: CC1=NC=CN1CC2=NN=CC(=C2)C3=CC(=C(C=C3)F)C(F)FInChIKey: BOVUHBFXPNLTKF-UHFFFAOYSA-NInChI: InChI=1S/C16H13F3N4/c1-10-20-4-5-23(10)9-13-6-12(8-21-22-13)11-2-3-15(17)14(7-11)16(18)19/h2-8,16H,9H2,1H3
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花生四烯酸(AA)分子式: C20H32O2 分子量: 304.47IUPAC Name: (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acidSMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)OInChIKey: YZXBAPSDXZZRGB-DOFZRALJSA-NInChI: InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
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