General Information of the Compound
| Compound ID |
CP0500799
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| Compound Name |
3-(cyclopentylmethyl)-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole
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| Structure |
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| Formula |
C21H23N3O
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| Molecular Weight |
333.435
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| Canonical SMILES |
C(Oc1ccccc1)c1nnc(CC2CCCC2)n1-c1ccccc1
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| InChI |
InChI=1S/C21H23N3O/c1-3-11-18(12-4-1)24-20(15-17-9-7-8-10-17)22-23-21(24)16-25-19-13-5-2-6-14-19/h1-6,11-14,17H,7-10,15-16H2
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| InChIKey |
YXDWQVFHROLZHH-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