General Information of the Compound
| Compound ID |
CP0556799
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| Compound Name |
1-[[6-(4-chloro-2-fluorophenyl)pyridin-3-yl]methyl]-4-(trifluoromethyl)benzotriazole
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| Structure |
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| Formula |
C19H11ClF4N4
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| Molecular Weight |
406.77
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| Canonical SMILES |
Fc1cc(Cl)ccc1-c1ccc(Cn2nnc3c(cccc23)C(F)(F)F)cn1
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| InChI |
InChI=1S/C19H11ClF4N4/c20-12-5-6-13(15(21)8-12)16-7-4-11(9-25-16)10-28-17-3-1-2-14(19(22,23)24)18(17)26-27-28/h1-9H,10H2
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| InChIKey |
DJKPPIVKNOICOI-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