General Information of the Compound
| Compound ID |
CP0457442
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| Compound Name |
1-[[6-(4-chloro-2-fluorophenyl)pyridin-3-yl]methyl]benzotriazole-4-carbonitrile
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| Structure |
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| Formula |
C19H11ClFN5
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| Molecular Weight |
363.783
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| Canonical SMILES |
Fc1cc(Cl)ccc1-c1ccc(Cn2nnc3c(cccc23)C#N)cn1
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| InChI |
InChI=1S/C19H11ClFN5/c20-14-5-6-15(16(21)8-14)17-7-4-12(10-23-17)11-26-18-3-1-2-13(9-22)19(18)24-25-26/h1-8,10H,11H2
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| InChIKey |
NYLIFXBAWWAPRT-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