General Information of the Compound
| Compound ID |
CP0541326
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| Compound Name |
4-(azepane-1-carbonyl)-2-(3,4-dimethylphenyl)-6,7-dimethoxyisoquinolin-1-one
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| Structure |
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| Formula |
C26H30N2O4
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| Molecular Weight |
434.536
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| Canonical SMILES |
COc1cc2c(cn(-c3ccc(C)c(C)c3)c(=O)c2cc1OC)C(=O)N1CCCCCC1
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| InChI |
InChI=1S/C26H30N2O4/c1-17-9-10-19(13-18(17)2)28-16-22(25(29)27-11-7-5-6-8-12-27)20-14-23(31-3)24(32-4)15-21(20)26(28)30/h9-10,13-16H,5-8,11-12H2,1-4H3
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| InChIKey |
ODBMHUYMSSAHMW-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