General Information of the Compound
| Compound ID |
CP0257953
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| Compound Name |
2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
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| Structure |
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| Formula |
C12H13ClN4O2
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| Molecular Weight |
280.715
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| Canonical SMILES |
Cc1cc(OCC(=O)NCc2nnc[nH]2)ccc1Cl
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| InChI |
InChI=1S/C12H13ClN4O2/c1-8-4-9(2-3-10(8)13)19-6-12(18)14-5-11-15-7-16-17-11/h2-4,7H,5-6H2,1H3,(H,14,18)(H,15,16,17)
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| InChIKey |
BXXXNVMGIOZVQJ-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