General Information of the Compound
| Compound ID |
CP0431455
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| Compound Name |
N-[2-[2-(diethylamino)ethyl]-1-oxoisoquinolin-7-yl]-N'-hydroxyoctanediamide
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| Structure |
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| Formula |
C23H34N4O4
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| Molecular Weight |
430.549
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| Canonical SMILES |
CCN(CC)CCn1ccc2ccc(NC(=O)CCCCCCC(=O)NO)cc2c1=O
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| InChI |
InChI=1S/C23H34N4O4/c1-3-26(4-2)15-16-27-14-13-18-11-12-19(17-20(18)23(27)30)24-21(28)9-7-5-6-8-10-22(29)25-31/h11-14,17,31H,3-10,15-16H2,1-2H3,(H,24,28)(H,25,29)
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| InChIKey |
ZAKBEXUJXNNGOJ-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