小分子和化合物库
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[(E)-[4-(4-氟苯氧基)苯基]亚甲基亚氨基]脲(Co 102862)CAS号 : 181144-66-1 Compound CID : 9816959分子式: C14H12FN3O2 分子量: 273.3IUPAC Name: [(E)-[4-(4-fluorophenoxy)phenyl]methylideneamino]ureaSMILES: C1=CC(=CC=C1C=NNC(=O)N)OC2=CC=C(C=C2)FInChIKey: MHUUDVZSPFRUSK-RQZCQDPDSA-NInChI: InChI=1S/C14H12FN3O2/c15-11-3-7-13(8-4-11)20-12-5-1-10(2-6-12)9-17-18-14(16)19/h1-9H,(H3,16,18,19)/b17-9+
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TC-N 1752, Nav 通道阻滞剂CAS号 : 1211866-85-1 Compound CID : 53361524分子式: C25H27F3N6O3 分子量: 516.52IUPAC Name: N-[2-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamideSMILES: CC1=C(C=CC=C1NC(=O)C)NC2=NC(=NC=N2)N3CCC(CC3)OCC4=CC=C(C=C4)OC(F)(F)FInChIKey: QLKAFHZJICDACE-UHFFFAOYSA-NInChI: InChI=1S/C25H27F3N6O3/c1-16-21(31-17(2)35)4-3-5-22(16)32-23-29-15-30-24(33-23)34-12-10-19(11-13-34)36-14-18-6-8-20(9-7-18)37-25(26,27)28/h3-9,15,19H,10-14H2,1-2H3,(H,31,35)(H,29,30,32,33)
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NAV 26,Nav1.7通道阻滞剂CAS号 : 1198160-14-3 Compound CID : 44540282分子式: C22H21F3N2O4 分子量: 434.41IUPAC Name: 2-(oxan-4-yl)-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamideSMILES: C1COCCC1N2C(C3=CC=CC=C3C2=O)C(=O)NCC4=CC=C(C=C4)OC(F)(F)FInChIKey: ICGMZCVSHDKQTE-UHFFFAOYSA-NInChI: InChI=1S/C22H21F3N2O4/c23-22(24,25)31-16-7-5-14(6-8-16)13-26-20(28)19-17-3-1-2-4-18(17)21(29)27(19)15-9-11-30-12-10-15/h1-8,15,19H,9-13H2,(H,26,28)
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ICA 121431,NaV1.3和NaV1.1通道阻滞剂CAS号 : 313254-51-2 Compound CID : 998021分子式: C23H19N3O3S2 分子量: 449.55IUPAC Name: 2,2-diphenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamideSMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4InChIKey: URSQNPPONHUJDL-UHFFFAOYSA-NInChI: InChI=1S/C23H19N3O3S2/c27-22(21(17-7-3-1-4-8-17)18-9-5-2-6-10-18)25-19-11-13-20(14-12-19)31(28,29)26-23-24-15-16-30-23/h1-16,21H,(H,24,26)(H,25,27)
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AUDACAS号 : 479413-70-2 Compound CID : 10069117分子式: C23H40N2O3 分子量: 392.58IUPAC Name: 12-(1-adamantylcarbamoylamino)dodecanoic acidSMILES: C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCCCCCCCCCC(=O)OInChIKey: XLGSEOAVLVTJDH-UHFFFAOYSA-NInChI: InChI=1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22(28)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-20H,1-17H2,(H,26,27)(H2,24,25,28)
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A-803467CAS号 : 944261-79-4(DMSO)分子式: C19H16ClNO4 分子量: 357.79SMILES: COC1=CC(=CC(=C1)NC(=O)C2=CC=C(O2)C3=CC=C(Cl)C=C3)OC
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Zileuton (A-64077)CAS号 : 111406-87-2(DMSO)分子式: C11H12N2O2S 分子量: 236.29SMILES: CC(N(O)C(N)=O)C1=CC2=CC=CC=C2S1
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扎鲁斯特CAS号 : 107753-78-6(DMSO)分子式: C31H33N3O6S 分子量: 575.68SMILES: COC1=CC(=CC=C1CC2=C[N](C)C3=C2C=C(NC(=O)OC4CCCC4)C=C3)C(=O)N[S](=O)(=O)C5=CC=CC=C5C
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氟维司群CAS号 : 129453-61-8(DMSO)分子式: C32H47F5O3S 分子量: 606.77SMILES: CC12CCC3C(C(CCCCCCCCC[S](=O)CCCC(F)(F)C(F)(F)F)CC4=C3C=CC(=C4)O)C1CCC2O
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瑞格非尼CAS号 : 755037-03-7(DMSO)分子式: C21H15ClF4N4O3 分子量: 482.82SMILES: CNC(=O)C1=CC(=CC=N1)OC2=CC(=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)F
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索拉非尼CAS号 : 284461-73-0(DMSO)分子式: C21H16ClF3N4O3 分子量: 464.82SMILES: CNC(=O)C1=CC(=CC=N1)OC2=CC=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2
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