General Information of the Compound
| Compound ID |
CP0380500
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| Compound Name |
(E)-N-hydroxy-3-[4-[[[1-(4-methylanilino)isoquinolin-7-yl]amino]methyl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C26H24N4O2
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| Molecular Weight |
424.504
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| Canonical SMILES |
Cc1ccc(Nc2nccc3ccc(NCc4ccc(\C=C\C(=O)NO)cc4)cc23)cc1
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| InChI |
InChI=1S/C26H24N4O2/c1-18-2-10-22(11-3-18)29-26-24-16-23(12-9-21(24)14-15-27-26)28-17-20-6-4-19(5-7-20)8-13-25(31)30-32/h2-16,28,32H,17H2,1H3,(H,27,29)(H,30,31)/b13-8+
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| InChIKey |
KPLJHTZFLSOICT-MDWZMJQESA-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