General Information of the Compound
| Compound ID |
CP0949399
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| Compound Name |
5-(chloro(phenethyl)amino)-2-propylisoquinolin-1(2H)-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 |
CCCn1ccc2c(N(Cl)CCc3ccccc3)cccc2c1=O
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| InChI |
InChI=1S/C20H21ClN2O/c1-2-13-22-14-12-17-18(20(22)24)9-6-10-19(17)23(21)15-11-16-7-4-3-5-8-16/h3-10,12,14H,2,11,13,15H2,1H3
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| InChIKey |
YVSVTYLMAIUAJI-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