General Information of the Compound
| Compound ID |
CP0457441
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| Compound Name |
1-[[6-(4-chlorophenyl)pyridin-3-yl]methyl]benzotriazole
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| Structure |
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| Formula |
C18H13ClN4
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| Molecular Weight |
320.783
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| Canonical SMILES |
Clc1ccc(cc1)-c1ccc(Cn2nnc3ccccc23)cn1
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| InChI |
InChI=1S/C18H13ClN4/c19-15-8-6-14(7-9-15)16-10-5-13(11-20-16)12-23-18-4-2-1-3-17(18)21-22-23/h1-11H,12H2
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| InChIKey |
LVEIULPPQZLUAR-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