General Information of the Compound
| Compound ID |
CP0531951
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| Compound Name |
N'-hydroxy-N-[6-(4-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]octanediamide
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| Formula |
C21H25N5O4
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| Molecular Weight |
411.462
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| Canonical SMILES |
COc1ccc(cc1)-c1ccc2c(NC(=O)CCCCCCC(=O)NO)n[nH]c2n1
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| InChI |
InChI=1S/C21H25N5O4/c1-30-15-10-8-14(9-11-15)17-13-12-16-20(22-17)24-25-21(16)23-18(27)6-4-2-3-5-7-19(28)26-29/h8-13,29H,2-7H2,1H3,(H,26,28)(H2,22,23,24,25,27)
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| InChIKey |
DSKKGFQMLMVZBD-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