General Information of the Compound
| Compound ID |
CP0545957
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| Compound Name |
4-(azepane-1-carbonyl)-2-(4-fluorophenyl)-6,7-dimethoxyisoquinolin-1-one
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| Structure |
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| Formula |
C24H25FN2O4
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| Molecular Weight |
424.472
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| Canonical SMILES |
COc1cc2c(cn(-c3ccc(F)cc3)c(=O)c2cc1OC)C(=O)N1CCCCCC1
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| InChI |
InChI=1S/C24H25FN2O4/c1-30-21-13-18-19(14-22(21)31-2)24(29)27(17-9-7-16(25)8-10-17)15-20(18)23(28)26-11-5-3-4-6-12-26/h7-10,13-15H,3-6,11-12H2,1-2H3
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| InChIKey |
YYUCKVQOCDPNQK-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound