General Information of the Compound
| Compound ID |
CP0577299
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| Compound Name |
4-bromo-1-[(4-chloro-2-fluorophenyl)methyl]benzotriazole
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| Structure |
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| Formula |
C13H8BrClFN3
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| Molecular Weight |
340.583
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| Canonical SMILES |
Fc1cc(Cl)ccc1Cn1nnc2c(Br)cccc12
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| InChI |
InChI=1S/C13H8BrClFN3/c14-10-2-1-3-12-13(10)17-18-19(12)7-8-4-5-9(15)6-11(8)16/h1-6H,7H2
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| InChIKey |
FQEHXUBQYJHQGB-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