6487242 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 16 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 5 5 5 6 6 7 7 7 8 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 15 15 15 16 16 17 17 17 18 19 19 20 20 21 21 22 23 24 26 27 28 28 29 29 30 24 25 14 27 30 26 14 15 16 23 25 25 26 50 9 10 14 31 11 32 33 12 34 35 13 36 37 13 38 39 40 41 17 42 43 18 19 18 44 45 20 22 46 21 47 22 23 48 24 49 27 28 29 51 30 52 53 1 1 2 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 2 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 4.3907 9.1605 2.1045 2.9016 9.5176 5.8688 4.4839 10.8068 11.1175 11.4747 12.096 12.4532 12.7638 9.8283 10.1013 8.5714 9.5176 8.5714 7.7054 7.7054 6.8394 6.8394 5.9734 5.0598 4.8907 3.4894 3.0827 3.5827 2.9136 2 10.6142 10.5037 11.0969 11.7059 10.9483 11.8647 12.6223 13.067 12.4737 13.1464 13.3107 10.5621 10.5621 10.055 9.2666 7.7054 7.7054 6.3024 4.9309 4.8484 4.1993 3.0424 1.4631 0.0239 -3.8121 3.0295 1.099 -2.1172 0.682 1.8035 -3.274 -4.2245 -2.5297 -4.4307 -2.7359 -3.6864 -3.0678 -1.3125 -1.8125 -0.5078 -0.8125 -2.3125 -0.3125 -0.8125 -1.8125 -0.3125 -0.7192 0.8899 1.908 2.8215 3.6876 4.4307 4.024 -2.6847 -4.3118 -4.8442 -1.9544 -2.202 -5.006 -4.7584 -2.6486 -2.1162 -4.1743 -3.3944 -1.7272 -0.8978 -0.1985 0.0591 -2.9325 0.3075 -2.1225 -1.3257 2.3051 3.7524 5.0372 4.334 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 3 3 6 6 16 16 18 19 20 21 23 27 28 29 24 25 27 30 23 25 18 19 20 22 21 22 24 28 29 30 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 641 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B3000400000000000000000000000000162C4800030600000000000005801F000001E04100000000D0CE5DE06B1D593C81448AC03AD72F40282F8A9652A39098835FE6CD88E26B2E4BDBF873928ECC713D8E9A7989FC28E08000200000200001000040000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[1-(cyclohexanecarbonyl)indolin-5-yl]thiazol-2-yl]furan-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[1-[cyclohexyl(oxo)methyl]-2,3-dihydroindol-5-yl]-2-thiazolyl]-2-furancarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[4-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]furan-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]furan-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(1-cyclohexylcarbonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furan-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[1-(cyclohexanecarbonyl)indolin-5-yl]thiazol-2-yl]-2-furamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H23N3O3S/c27-21(20-7-4-12-29-20)25-23-24-18(14-30-23)16-8-9-19-17(13-16)10-11-26(19)22(28)15-5-2-1-3-6-15/h4,7-9,12-15H,1-3,5-6,10-11H2,(H,24,25,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 UKLCPBGGTODAPV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 421.14601278 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H23N3O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 421.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCC(CC1)C(=O)N2CCC3=C2C=CC(=C3)C4=CSC(=N4)NC(=O)C5=CC=CO5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCC(CC1)C(=O)N2CCC3=C2C=CC(=C3)C4=CSC(=N4)NC(=O)C5=CC=CO5 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 104 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 421.14601278 30 0 0 0 0 0 0 0 1 -1