General Information of the Compound
| Compound ID |
CP0427037
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| Compound Name |
N-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]methyl]cyclopentanamine
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| Structure |
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| Formula |
C20H19Cl3N4
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| Molecular Weight |
421.759
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| Canonical SMILES |
Clc1ccc(cc1)-c1nc(CNC2CCCC2)nn1-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C20H19Cl3N4/c21-14-7-5-13(6-8-14)20-25-19(12-24-16-3-1-2-4-16)26-27(20)18-10-9-15(22)11-17(18)23/h5-11,16,24H,1-4,12H2
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| InChIKey |
PVYXQGQHJUSJJG-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