General Information of the Compound
| Compound ID |
CP0969902
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| Compound Name |
5-(5-((2-chloro-4-(trifluoromethyl)phenoxy)methyl)-2-fluorophenyl)-1H-tetrazole
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| Structure |
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| Formula |
C15H9ClF4N4O
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| Molecular Weight |
372.709
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| Canonical SMILES |
Fc1ccc(COc2ccc(C(F)(F)F)cc2Cl)cc1-c1nnn[nH]1
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| InChI |
InChI=1S/C15H9ClF4N4O/c16-11-6-9(15(18,19)20)2-4-13(11)25-7-8-1-3-12(17)10(5-8)14-21-23-24-22-14/h1-6H,7H2,(H,21,22,23,24)
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| InChIKey |
XHQCQHCEHGPFQM-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