General Information of the Compound
| Compound ID |
CP0564686
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| Compound Name |
N-hydroxy-4-[[2-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]methyl]benzamide
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| Structure |
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| Formula |
C21H18N4O3S
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| Molecular Weight |
406.467
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| Canonical SMILES |
COc1ccccc1-n1nc(nc1Cc1ccc(cc1)C(=O)NO)-c1cccs1
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| InChI |
InChI=1S/C21H18N4O3S/c1-28-17-6-3-2-5-16(17)25-19(22-20(23-25)18-7-4-12-29-18)13-14-8-10-15(11-9-14)21(26)24-27/h2-12,27H,13H2,1H3,(H,24,26)
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| InChIKey |
QFHKETNYWNTIJR-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