General Information of the Compound
| Compound ID |
CP0537837
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| Compound Name |
4-[[2-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methylamino]-N-hydroxybenzamide
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| Formula |
C22H18FN5O2
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| Molecular Weight |
403.417
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| Canonical SMILES |
ONC(=O)c1ccc(NCc2nc(nn2-c2ccc(F)cc2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C22H18FN5O2/c23-17-8-12-19(13-9-17)28-20(25-21(26-28)15-4-2-1-3-5-15)14-24-18-10-6-16(7-11-18)22(29)27-30/h1-13,24,30H,14H2,(H,27,29)
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| InChIKey |
JXKVWFDONSTMGQ-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