General Information of the Compound
| Compound ID |
CP0066160
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| Compound Name |
N-[3-(2H-tetrazol-5-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
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| Structure |
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| Formula |
C18H16F3N5O
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| Molecular Weight |
375.354
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| Canonical SMILES |
CCC(=O)N(Cc1ccc(cc1)C(F)(F)F)c1cccc(c1)-c1nnn[nH]1
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| InChI |
InChI=1S/C18H16F3N5O/c1-2-16(27)26(11-12-6-8-14(9-7-12)18(19,20)21)15-5-3-4-13(10-15)17-22-24-25-23-17/h3-10H,2,11H2,1H3,(H,22,23,24,25)
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| InChIKey |
RDDJIRJLHGHBFB-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