General Information of the Compound
| Compound ID |
CP0201422
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| Compound Name |
1-[[6-(4-chloro-2-fluorophenyl)pyridin-3-yl]methyl]benzotriazole
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| Structure |
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| Formula |
C18H12ClFN4
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| Molecular Weight |
338.773
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| Canonical SMILES |
Fc1cc(Cl)ccc1-c1ccc(Cn2nnc3ccccc23)cn1
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| InChI |
InChI=1S/C18H12ClFN4/c19-13-6-7-14(15(20)9-13)16-8-5-12(10-21-16)11-24-18-4-2-1-3-17(18)22-23-24/h1-10H,11H2
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| InChIKey |
HRQCIFQHCZNSOV-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