General Information of the Compound
| Compound ID |
CP0144468
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| Compound Name |
N-[3-chloro-4-(trifluoromethyl)phenyl]-1-(2-pyridin-4-ylethyl)tetrazole-5-carboxamide
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| Structure |
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| Formula |
C16H12ClF3N6O
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| Molecular Weight |
396.76
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| Canonical SMILES |
FC(F)(F)c1ccc(NC(=O)c2nnnn2CCc2ccncc2)cc1Cl
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| InChI |
InChI=1S/C16H12ClF3N6O/c17-13-9-11(1-2-12(13)16(18,19)20)22-15(27)14-23-24-25-26(14)8-5-10-3-6-21-7-4-10/h1-4,6-7,9H,5,8H2,(H,22,27)
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| InChIKey |
XRWIVYMHRAOULG-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