53377428 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 54 55 56 16 8 8 8 8 7 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 1 2 3 3 4 4 5 6 6 6 7 7 7 8 8 9 9 9 10 10 10 10 11 11 12 12 13 14 14 15 15 16 16 18 19 20 20 20 21 23 23 23 24 25 25 26 26 27 27 28 29 30 31 31 31 32 32 32 21 22 17 28 31 29 32 24 11 13 17 17 20 40 19 22 22 24 47 11 12 33 34 35 36 13 14 15 16 37 18 38 18 19 39 21 23 41 42 43 44 45 46 25 26 27 29 48 28 49 30 30 50 51 52 53 54 55 56 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 1 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 54 55 56 6.1105 10.8803 5.5714 2.4067 4.6215 11.2375 12.5267 7.5887 6.2038 11.2375 11.8211 10.2913 10.2913 9.4252 9.4252 8.5592 11.5481 8.5592 7.6932 12.8373 6.7796 6.6105 13.8158 5.2092 4.8025 3.808 5.3903 4.9836 3.4013 3.989 5.1646 2 11.7749 10.9865 12.282 12.282 9.4252 9.4252 8.0223 12.9407 12.2235 12.8167 6.6507 13.688 14.4225 13.9437 6.5682 3.4436 6.0069 3.7369 5.731 4.9124 4.5982 2.5664 1.7478 1.4336 -0.8941 -4.73 4.4352 3.0262 0.181 -3.0352 -4.192 -0.236 0.8855 -1.4258 -2.2305 -1.7305 -2.7305 -1.2305 -3.2305 -1.7305 -3.9857 -2.7305 -1.2305 -5.1425 -1.6372 -0.0281 -5.3487 0.99 1.9036 2.0081 2.7126 3.6261 2.9216 3.7307 5.3487 3.9397 -1.1165 -0.8588 -2.6452 -1.8158 -0.6105 -3.8505 -3.0405 -3.7305 -5.2298 -5.7621 -2.2437 -5.9554 -5.4765 -4.742 1.3871 1.5065 2.6478 4.2971 5.6009 5.9151 5.0965 4.1919 4.5061 3.6875 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 8 8 12 12 13 14 15 16 19 25 25 26 27 28 29 21 22 19 22 13 14 15 16 18 18 21 26 27 29 28 30 30 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 656 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB800400000000000000000000000000162C0000030600000000000005801D000001E04100000000C0CC5DE06B3D793C81408AC032572740082F8A9652A390988B53E6CD88C27B2E4BD9B8431286DD717C8E9A7BAE8DC8E08000308000200001000061000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[2-[(3,5-dimethoxybenzoyl)amino]thiazol-4-yl]-N-ethyl-indoline-1-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-4-thiazolyl]-N-ethyl-2,3-dihydroindole-1-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]-<I>N</I>-ethyl-2,3-dihydroindole-1-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]-N-ethyl-2,3-dihydroindole-1-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[2-[(3,5-dimethoxyphenyl)carbonylamino]-1,3-thiazol-4-yl]-N-ethyl-2,3-dihydroindole-1-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[2-[(3,5-dimethoxybenzoyl)amino]thiazol-4-yl]-N-ethyl-indoline-1-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H24N4O4S/c1-4-24-23(29)27-8-7-15-9-14(5-6-20(15)27)19-13-32-22(25-19)26-21(28)16-10-17(30-2)12-18(11-16)31-3/h5-6,9-13H,4,7-8H2,1-3H3,(H,24,29)(H,25,26,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 MMQXYOUNCBKSOO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 452.15182643 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H24N4O4S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 452.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCNC(=O)N1CCC2=C1C=CC(=C2)C3=CSC(=N3)NC(=O)C4=CC(=CC(=C4)OC)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCNC(=O)N1CCC2=C1C=CC(=C2)C3=CSC(=N3)NC(=O)C4=CC(=CC(=C4)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 121 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 452.15182643 32 0 0 0 0 0 0 0 1 -1