General Information of the Compound
| Compound ID |
CP0133930
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| Compound Name |
N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
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| Structure |
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| Formula |
C20H19F4N5O
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| Molecular Weight |
421.398
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| Canonical SMILES |
CCCCC(=O)N(Cc1ccc(cc1)C(F)(F)F)c1cc(F)cc(c1)-c1nnn[nH]1
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| InChI |
InChI=1S/C20H19F4N5O/c1-2-3-4-18(30)29(12-13-5-7-15(8-6-13)20(22,23)24)17-10-14(9-16(21)11-17)19-25-27-28-26-19/h5-11H,2-4,12H2,1H3,(H,25,26,27,28)
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| InChIKey |
FMGHQGPKEYNZBW-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