General Information of the Compound
| Compound ID |
CP0963675
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| Compound Name |
4-(Azepan-1-ylcarbonyl)-2-[3-(dimethylamino)phenyl]-6,7-dimethoxyisoquinolin-1(2H)-one hydrochloride
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| Structure |
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| Formula |
C26H32ClN3O4
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| Molecular Weight |
486.012
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| Canonical SMILES |
COc1cc2c(C(=O)N3CCCCCC3)cn(-c3cccc(N(C)C)c3)c(=O)c2cc1OC.Cl
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| InChI |
InChI=1S/C26H31N3O4.ClH/c1-27(2)18-10-9-11-19(14-18)29-17-22(25(30)28-12-7-5-6-8-13-28)20-15-23(32-3)24(33-4)16-21(20)26(29)31;/h9-11,14-17H,5-8,12-13H2,1-4H3;1H
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| InChIKey |
FACLSAWJJAMAEK-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