小分子
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DexmedetomidineCAS号 : 113775-47-6(DMSO)分子式: C13H16N2 分子量: 200.28SMILES: CC(C1=CN=C[NH]1)C2=CC=CC(=C2C)C
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利哌酮CAS号 : 106266-06-2(DMSO)分子式: C23H27FN4O2 分子量: 410.48SMILES: CC1=C(CCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)C(=O)N5CCCCC5=N1
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来氟米特CAS号 : 75706-12-6(DMSO)分子式: C12H9F3N2O2 分子量: 270.21SMILES: CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F
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氯氮平CAS号 : 5786-21-0(DMSO)分子式: C18H19ClN4 分子量: 326.82SMILES: CN1CCN(CC1)C2=NC3=C(NC4=C2C=CC=C4)C=CC(=C3)Cl
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米尔塔扎平CAS号 : 85650-52-8(DMSO)分子式: C17H19N3 分子量: 265.35SMILES: CN1CCN2C(C1)C3=C(CC4=C2N=CC=C4)C=CC=C3
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AtipamezoleCAS号 : 104054-27-5分子式: C14H16N2 分子量: 212.29IUPAC Name: 5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazoleSMILES: CCC1(CC2=CC=CC=C2C1)C3=CN=CN3InChIKey: HSWPZIDYAHLZDD-UHFFFAOYSA-NInChI: InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)
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AMG 333CAS号 : 1416799-28-4分子式: C20H12F5N3O4 分子量: 453.33IUPAC Name: 6-[[(S)-(3-fluoropyridin-2-yl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]carbamoyl]pyridine-3-carboxylic acidSMILES: C1=CC(=C(N=C1)C(C2=CC(=C(C=C2)OC(F)(F)F)F)NC(=O)C3=NC=C(C=C3)C(=O)O)FInChIKey: QEBYISWYMFIXOZ-INIZCTEOSA-NInChI: InChI=1S/C20H12F5N3O4/c21-12-2-1-7-26-17(12)16(10-4-6-15(13(22)8-10)32-20(23,24)25)28-18(29)14-5-3-11(9-27-14)19(30)31/h1-9,16H,(H,28,29)(H,30,31)/t16-/m0/s1
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溴莫尼定CAS号 : 59803-98-4分子式: C11H10BrN5 分子量: 292.135IUPAC Name: 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amineSMILES: C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)BrInChIKey: XYLJNLCSTIOKRM-UHFFFAOYSA-NInChI: InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
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Brequinar sodiumCAS号 : 96201-88-6分子式: C23H14F2NO2Na 分子量: 397.35IUPAC Name: sodium;6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylateSMILES: CC1=C(C2=C(C=CC(=C2)F)N=C1C3=CC=C(C=C3)C4=CC=CC=C4F)C(=O)[O-].[Na+]InChIKey: PZOHOALJQOFNTB-UHFFFAOYSA-MInChI: InChI=1S/C23H15F2NO2.Na/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25;/h2-12H,1H3,(H,27,28);/q;+1/p-1
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布喹那CAS号 : 96187-53-0分子式: C23H15F2NO2 分子量: 375.37IUPAC Name: 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylic acidSMILES: CC1=C(C2=C(C=CC(=C2)F)N=C1C3=CC=C(C=C3)C4=CC=CC=C4F)C(=O)OInChIKey: PHEZJEYUWHETKO-UHFFFAOYSA-NInChI: InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)
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CapsazepineCAS号 : 138977-28-3分子式: C19H21ClN2O2S 分子量: 376.9IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamideSMILES: C1CC2=CC(=C(C=C2CN(C1)C(=S)NCCC3=CC=C(C=C3)Cl)O)OInChIKey: DRCMAZOSEIMCHM-UHFFFAOYSA-NInChI: InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25)