General Information of the Compound
| Compound ID |
CP0408711
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| Compound Name |
4-(azepane-1-carbonyl)-6,7-dimethoxy-2-propan-2-ylisoquinolin-1-one
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| Structure |
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| Formula |
C21H28N2O4
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| Molecular Weight |
372.465
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| Canonical SMILES |
COc1cc2c(cn(C(C)C)c(=O)c2cc1OC)C(=O)N1CCCCCC1
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| InChI |
InChI=1S/C21H28N2O4/c1-14(2)23-13-17(20(24)22-9-7-5-6-8-10-22)15-11-18(26-3)19(27-4)12-16(15)21(23)25/h11-14H,5-10H2,1-4H3
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| InChIKey |
RXQXLILGMJEYLC-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