General Information of the Compound
| Compound ID |
CP0492657
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| Compound Name |
1-[[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]methyl]benzotriazole
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| Structure |
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| Formula |
C20H13F4N3
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| Molecular Weight |
371.337
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| Canonical SMILES |
Fc1cc(ccc1-c1ccc(Cn2nnc3ccccc23)cc1)C(F)(F)F
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| InChI |
InChI=1S/C20H13F4N3/c21-17-11-15(20(22,23)24)9-10-16(17)14-7-5-13(6-8-14)12-27-19-4-2-1-3-18(19)25-26-27/h1-11H,12H2
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| InChIKey |
VNJKRWNEDAEXED-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