General Information of the Compound
| Compound ID |
CP0488024
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| Compound Name |
3,5-difluoro-N-hydroxy-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]benzamide
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| Structure |
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| Formula |
C18H12F2N6O2
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| Molecular Weight |
382.33
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| Canonical SMILES |
ONC(=O)c1cc(F)c(Cn2nnc(n2)-c2nccc3ccccc23)c(F)c1
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| InChI |
InChI=1S/C18H12F2N6O2/c19-14-7-11(18(27)24-28)8-15(20)13(14)9-26-23-17(22-25-26)16-12-4-2-1-3-10(12)5-6-21-16/h1-8,28H,9H2,(H,24,27)
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| InChIKey |
MCQKRHGWAAJJEJ-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