General Information of the Compound
| Compound ID |
CP0489935
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| Compound Name |
N-cyclopentyl-5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-amine
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| Structure |
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| Formula |
C20H22N4O
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| Molecular Weight |
334.423
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| Canonical SMILES |
C(Oc1ccccc1)c1nnc(NC2CCCC2)n1-c1ccccc1
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| InChI |
InChI=1S/C20H22N4O/c1-3-11-17(12-4-1)24-19(15-25-18-13-5-2-6-14-18)22-23-20(24)21-16-9-7-8-10-16/h1-6,11-14,16H,7-10,15H2,(H,21,23)
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| InChIKey |
JBKQYDFMLREVSW-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