General Information of the Compound
| Compound ID |
CP0443042
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| Compound Name |
N-[1-(2-fluoroanilino)isoquinolin-7-yl]-N'-hydroxyoctanediamide
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| Structure |
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| Formula |
C23H25FN4O3
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| Molecular Weight |
424.476
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| Canonical SMILES |
ONC(=O)CCCCCCC(=O)Nc1ccc2ccnc(Nc3ccccc3F)c2c1
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| InChI |
InChI=1S/C23H25FN4O3/c24-19-7-5-6-8-20(19)27-23-18-15-17(12-11-16(18)13-14-25-23)26-21(29)9-3-1-2-4-10-22(30)28-31/h5-8,11-15,31H,1-4,9-10H2,(H,25,27)(H,26,29)(H,28,30)
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| InChIKey |
AGZGHJKLKCIIAU-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