General Information of the Compound
| Compound ID |
CP0465369
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| Compound Name |
N-cyclohexyl-5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-amine
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| Structure |
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| Formula |
C21H24N4O
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| Molecular Weight |
348.45
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| Canonical SMILES |
C(Oc1ccccc1)c1nnc(NC2CCCCC2)n1-c1ccccc1
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| InChI |
InChI=1S/C21H24N4O/c1-4-10-17(11-5-1)22-21-24-23-20(16-26-19-14-8-3-9-15-19)25(21)18-12-6-2-7-13-18/h2-3,6-9,12-15,17H,1,4-5,10-11,16H2,(H,22,24)
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| InChIKey |
OJMHAUHMKOBVRO-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