General Information of the Compound
| Compound ID |
CP0452387
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| Compound Name |
3-(aminomethyl)-2-butyl-6-chloro-4-phenylisoquinolin-1-one
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| Structure |
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| Formula |
C20H21ClN2O
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| Molecular Weight |
340.854
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| Canonical SMILES |
CCCCn1c(CN)c(-c2ccccc2)c2cc(Cl)ccc2c1=O
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| InChI |
InChI=1S/C20H21ClN2O/c1-2-3-11-23-18(13-22)19(14-7-5-4-6-8-14)17-12-15(21)9-10-16(17)20(23)24/h4-10,12H,2-3,11,13,22H2,1H3
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| InChIKey |
VUEXKJSRWVARLI-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