General Information of the Compound
| Compound ID |
CP0471041
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| Compound Name |
3-(aminomethyl)-6-chloro-2-pentyl-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 |
CCCCCn1c(CN)c(-c2ccccc2)c2cc(Cl)ccc2c1=O
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| InChI |
InChI=1S/C21H23ClN2O/c1-2-3-7-12-24-19(14-23)20(15-8-5-4-6-9-15)18-13-16(22)10-11-17(18)21(24)25/h4-6,8-11,13H,2-3,7,12,14,23H2,1H3
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| InChIKey |
TWMKFGSUBGDNIH-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