General Information of the Compound
| Compound ID |
CP0425421
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| Compound Name |
3-(aminomethyl)-6-chloro-4-phenyl-2-propylisoquinolin-1-one
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| Structure |
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| Formula |
C19H19ClN2O
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| Molecular Weight |
326.827
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| Canonical SMILES |
CCCn1c(CN)c(-c2ccccc2)c2cc(Cl)ccc2c1=O
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| InChI |
InChI=1S/C19H19ClN2O/c1-2-10-22-17(12-21)18(13-6-4-3-5-7-13)16-11-14(20)8-9-15(16)19(22)23/h3-9,11H,2,10,12,21H2,1H3
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| InChIKey |
HYTRUJPRWGLOBZ-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