General Information of the Compound
| Compound ID |
CP0380526
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| Compound Name |
N-[1-(2-chloro-4-methylanilino)isoquinolin-7-yl]-N'-hydroxyoctanediamide
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| Structure |
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| Formula |
C24H27ClN4O3
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| Molecular Weight |
454.958
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| Canonical SMILES |
Cc1ccc(Nc2nccc3ccc(NC(=O)CCCCCCC(=O)NO)cc23)c(Cl)c1
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| InChI |
InChI=1S/C24H27ClN4O3/c1-16-8-11-21(20(25)14-16)28-24-19-15-18(10-9-17(19)12-13-26-24)27-22(30)6-4-2-3-5-7-23(31)29-32/h8-15,32H,2-7H2,1H3,(H,26,28)(H,27,30)(H,29,31)
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| InChIKey |
IJGUAWCQKOESOS-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