General Information of the Compound
| Compound ID |
CP0457409
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| Compound Name |
6-chloro-3-[(dimethylamino)methyl]-2-(2-methylpropyl)-4-phenylisoquinolin-1-one
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| Structure |
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| Formula |
C22H25ClN2O
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| Molecular Weight |
368.908
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| Canonical SMILES |
CC(C)Cn1c(CN(C)C)c(-c2ccccc2)c2cc(Cl)ccc2c1=O
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| InChI |
InChI=1S/C22H25ClN2O/c1-15(2)13-25-20(14-24(3)4)21(16-8-6-5-7-9-16)19-12-17(23)10-11-18(19)22(25)26/h5-12,15H,13-14H2,1-4H3
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| InChIKey |
IXYIZMSSLYCESC-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