General Information of the Compound
| Compound ID |
CP0484576
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| Compound Name |
N'-hydroxy-N-[2-(3-methylbutyl)-1-oxoisoquinolin-7-yl]octanediamide
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| Structure |
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| Formula |
C22H31N3O4
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| Molecular Weight |
401.507
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| Canonical SMILES |
CC(C)CCn1ccc2ccc(NC(=O)CCCCCCC(=O)NO)cc2c1=O
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| InChI |
InChI=1S/C22H31N3O4/c1-16(2)11-13-25-14-12-17-9-10-18(15-19(17)22(25)28)23-20(26)7-5-3-4-6-8-21(27)24-29/h9-10,12,14-16,29H,3-8,11,13H2,1-2H3,(H,23,26)(H,24,27)
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| InChIKey |
FSIYMAGFRRSGGY-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