10250276 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 8 8 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 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 1 1 2 3 3 3 4 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 10 10 11 11 12 12 13 13 14 15 16 16 17 17 18 18 19 19 20 20 21 22 22 23 23 24 24 25 26 26 27 27 28 28 28 29 29 30 10 11 15 5 7 8 6 9 14 6 31 32 33 34 10 35 36 11 37 38 12 16 39 40 41 42 13 17 14 15 43 18 20 44 21 45 19 23 22 26 21 46 47 24 27 25 48 25 28 49 29 50 30 51 52 53 54 30 55 56 1 1 2 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 2 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 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 54 55 56 2 9.6871 3.9883 6.3802 4.9825 5.386 3.3977 3.5847 6.8735 2.4036 2.5906 7.852 7.9551 7.0473 8.8211 6.5628 8.5198 8.8211 9.6871 7.2307 8.2092 9.6871 7.9551 8.8211 7.9551 10.5811 10.5811 8.8211 11.4871 11.4871 5.5846 4.9414 4.7839 5.4271 3.2248 3.954 4.1868 3.5436 1.8015 2.4447 2.7635 2.0343 6.9194 5.9562 9.1265 7.0381 8.6232 7.4181 7.4181 10.5739 10.5739 9.4411 8.8211 8.2011 12.0229 12.0229 0.2098 -0.8051 -0.0061 -1.137 -0.1141 -1.029 -0.8131 0.9088 -2.0001 -0.7051 1.0168 -1.7938 -0.8051 -0.4 -0.3051 -2.9506 -2.5381 0.6949 1.1949 -3.6949 -3.4887 2.1949 1.1949 2.6949 2.1949 0.6602 2.7295 3.6949 1.1741 2.2157 0.0338 0.5045 -1.177 -1.6477 -1.4085 -1.0868 1.0567 1.5274 -0.853 -1.3238 1.6122 1.2905 0.2067 -3.0784 -2.4103 -4.2842 -3.9501 0.8849 2.5049 0.0403 3.3495 3.6949 4.3149 3.6949 0.862 2.5278 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 9 9 12 12 13 16 17 18 18 19 19 20 22 22 23 24 26 27 29 9 14 12 16 13 17 14 20 21 19 23 22 26 21 24 27 25 25 29 30 30 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 590 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30000000000000000000000000000001600000003C60C1000000000058C1F400001E00000000000C0CE19E063EC0F30C1400A803B477440082802035022008D8213864D80A60FAC09591972188608000D8C9C71C88C08EC0000200001200008000040000240000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-methyl-1-naphthyl)-[1-(2-morpholinoethyl)indol-3-yl]methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-methyl-1-naphthalenyl)-[1-[2-(4-morpholinyl)ethyl]-3-indolyl]methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-methylnaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-methylnaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-methylnaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-methyl-1-naphthyl)-[1-(2-morpholinoethyl)indol-3-yl]methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C26H26N2O2/c1-19-10-11-23(21-7-3-2-6-20(19)21)26(29)24-18-28(25-9-5-4-8-22(24)25)13-12-27-14-16-30-17-15-27/h2-11,18H,12-17H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ICKWPPYMDARCKJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 398.199428076 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C26H26N2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 398.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC=C(C2=CC=CC=C12)C(=O)C3=CN(C4=CC=CC=C43)CCN5CCOCC5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC=C(C2=CC=CC=C12)C(=O)C3=CN(C4=CC=CC=C43)CCN5CCOCC5 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 34.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 398.199428076 30 0 0 0 0 0 0 0 1 -1