General Information of the Compound
| Compound ID |
CP0426060
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| Compound Name |
N-hydroxy-4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide
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| Structure |
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| Formula |
C16H14N4O2
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| Molecular Weight |
294.314
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| Canonical SMILES |
ONC(=O)c1ccc(Cc2nnc([nH]2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C16H14N4O2/c21-16(20-22)13-8-6-11(7-9-13)10-14-17-15(19-18-14)12-4-2-1-3-5-12/h1-9,22H,10H2,(H,20,21)(H,17,18,19)
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| InChIKey |
MSCFDHCHPPYDNY-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