10546937 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 8 8 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 4 4 5 5 5 6 6 7 7 8 9 9 10 11 12 12 13 13 14 14 15 16 17 17 18 18 19 19 20 20 21 21 22 23 23 24 24 25 25 25 26 26 27 27 28 11 15 25 8 10 12 5 6 7 29 6 30 31 32 33 8 9 11 10 34 13 14 16 35 15 36 17 18 16 37 19 20 21 38 23 24 22 39 22 40 41 26 42 27 43 44 45 46 28 47 28 48 49 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 2 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 2 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 6.8335 2 4.5981 7.1279 7.9939 7.9939 6.1279 5.5443 5.5443 4.5981 5.855 3.732 3.732 5.1871 2.866 2.866 5.4978 4.2086 6.4763 4.8299 3.5408 3.8514 7.1441 6.787 2 8.1226 7.7654 8.4333 6.9674 7.7819 8.6045 8.6045 7.7819 5.7369 3.732 3.732 2.3291 4.016 5.0225 2.9341 3.4374 6.9515 6.3729 2.62 2 1.38 8.5367 7.9581 9.04 -0.555 2.4065 0.9065 1.4065 0.9065 1.9065 1.4065 0.6018 2.2112 1.9065 -0.3487 0.4065 2.4065 -1.093 1.9065 0.9065 -2.0436 -0.8868 -2.2498 -2.7879 -1.6311 -2.5816 -1.5055 -3.2003 3.4065 -1.7117 -3.4065 -2.6622 2.0054 0.3239 0.7989 2.0142 2.4891 2.8006 -0.2135 3.0265 0.5965 -0.2975 -3.3772 -1.5033 -3.0431 -0.9162 -3.6618 3.4065 4.0265 3.4065 -1.2502 -3.9958 -2.7901 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 3 7 7 9 10 12 13 14 14 15 17 18 19 19 20 21 23 24 26 27 8 10 12 8 9 10 13 16 15 17 18 16 20 21 23 24 22 22 26 27 28 28 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 553 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07A30000000000000000000000018000001600000003C608000000000005801F400001E00000000000D0CC19E063EC6B30C1C00A803B477440082882037222008D821BE6CD80C26F2C4B5BB84312866C019C8E98798C9F09E80000000001000000000000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-cyclopropyl-7-methoxy-indolizin-3-yl)-(2-phenylphenyl)methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-cyclopropyl-7-methoxy-3-indolizinyl)-(2-phenylphenyl)methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-cyclopropyl-7-methoxyindolizin-3-yl)-(2-phenylphenyl)methanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-cyclopropyl-7-methoxyindolizin-3-yl)-(2-phenylphenyl)methanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-cyclopropyl-7-methoxy-indolizin-3-yl)-(2-phenylphenyl)methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-cyclopropyl-7-methoxy-indolizin-3-yl)-(2-phenylphenyl)methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C25H21NO2/c1-28-20-13-14-26-19(15-20)16-23(18-11-12-18)24(26)25(27)22-10-6-5-9-21(22)17-7-3-2-4-8-17/h2-10,13-16,18H,11-12H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ILLHJKOPFBAUTC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 6.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.157228913 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C25H21NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC2=CC(=C(N2C=C1)C(=O)C3=CC=CC=C3C4=CC=CC=C4)C5CC5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC2=CC(=C(N2C=C1)C(=O)C3=CC=CC=C3C4=CC=CC=C4)C5CC5 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 30.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.157228913 28 0 0 0 0 0 0 0 1 -1