General Information of the Compound
| Compound ID |
CP0426174
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| Compound Name |
3-(aminomethyl)-6-chloro-2-(2,2-dimethylpropyl)-4-phenylisoquinolin-1-one
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| Structure |
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| Formula |
C21H23ClN2O
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| Molecular Weight |
354.881
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| Canonical SMILES |
CC(C)(C)Cn1c(CN)c(-c2ccccc2)c2cc(Cl)ccc2c1=O
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| InChI |
InChI=1S/C21H23ClN2O/c1-21(2,3)13-24-18(12-23)19(14-7-5-4-6-8-14)17-11-15(22)9-10-16(17)20(24)25/h4-11H,12-13,23H2,1-3H3
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| InChIKey |
NSYTZQQJJMAJAT-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