General Information of the Compound
| Compound ID |
CP0502557
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| Compound Name |
1-[(3,4-dichlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]triazole
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| Structure |
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| Formula |
C15H15Cl2N5
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| Molecular Weight |
336.226
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| Canonical SMILES |
Clc1ccc(Cn2cc(CCCc3cnc[nH]3)nn2)cc1Cl
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| InChI |
InChI=1S/C15H15Cl2N5/c16-14-5-4-11(6-15(14)17)8-22-9-13(20-21-22)3-1-2-12-7-18-10-19-12/h4-7,9-10H,1-3,8H2,(H,18,19)
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| InChIKey |
WLZIEQKPOAKLAQ-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