General Information of the Compound
| Compound ID |
CP0556798
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| Compound Name |
1-[[6-(4-chloro-2-fluorophenyl)pyridin-3-yl]methyl]-6-fluorobenzotriazole
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| Structure |
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| Formula |
C18H11ClF2N4
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| Molecular Weight |
356.763
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| Canonical SMILES |
Fc1ccc2nnn(Cc3ccc(nc3)-c3ccc(Cl)cc3F)c2c1
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| InChI |
InChI=1S/C18H11ClF2N4/c19-12-2-4-14(15(21)7-12)16-5-1-11(9-22-16)10-25-18-8-13(20)3-6-17(18)23-24-25/h1-9H,10H2
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| InChIKey |
YBRRVKPEVCHSJM-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