General Information of the Compound
| Compound ID |
CP0553953
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| Compound Name |
4-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-hydroxybenzamide
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| Structure |
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| Formula |
C18H16N4O2S
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| Molecular Weight |
352.419
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| Canonical SMILES |
ONC(=O)c1ccc(Sc2nc(C3CC3)n(n2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C18H16N4O2S/c23-17(21-24)13-8-10-15(11-9-13)25-18-19-16(12-6-7-12)22(20-18)14-4-2-1-3-5-14/h1-5,8-12,24H,6-7H2,(H,21,23)
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| InChIKey |
HICJDENTMITIIH-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