General Information of the Compound
| Compound ID |
CP0558199
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| Compound Name |
4-[4-(azepane-1-carbonyl)-6,7-dimethoxy-1-oxoisoquinolin-2-yl]benzamide
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| Structure |
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| Formula |
C25H27N3O5
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| Molecular Weight |
449.507
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| Canonical SMILES |
COc1cc2c(cn(-c3ccc(cc3)C(N)=O)c(=O)c2cc1OC)C(=O)N1CCCCCC1
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| InChI |
InChI=1S/C25H27N3O5/c1-32-21-13-18-19(14-22(21)33-2)25(31)28(17-9-7-16(8-10-17)23(26)29)15-20(18)24(30)27-11-5-3-4-6-12-27/h7-10,13-15H,3-6,11-12H2,1-2H3,(H2,26,29)
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| InChIKey |
DNCYMNPQUSYAIA-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