General Information of the Compound
| Compound ID |
CP0531040
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| Compound Name |
3-(aminomethyl)-6-methoxy-2-(2-methylpropyl)-4-phenylisoquinolin-1-one
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| Structure |
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| Formula |
C21H24N2O2
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| Molecular Weight |
336.435
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| Canonical SMILES |
COc1ccc2c(c1)c(-c1ccccc1)c(CN)n(CC(C)C)c2=O
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| InChI |
InChI=1S/C21H24N2O2/c1-14(2)13-23-19(12-22)20(15-7-5-4-6-8-15)18-11-16(25-3)9-10-17(18)21(23)24/h4-11,14H,12-13,22H2,1-3H3
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| InChIKey |
XTAAQZWWWVBDRN-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