General Information of the Compound
| Compound ID |
CP0416672
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| Compound Name |
N-[2-[2-(3-methoxyphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C22H16F3N5O2
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| Molecular Weight |
439.397
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| Canonical SMILES |
COc1cccc(c1)-n1nnc(n1)-c1ccccc1NC(=O)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C22H16F3N5O2/c1-32-17-6-4-5-16(13-17)30-28-20(27-29-30)18-7-2-3-8-19(18)26-21(31)14-9-11-15(12-10-14)22(23,24)25/h2-13H,1H3,(H,26,31)
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| InChIKey |
VBFRDQBFTFWPMD-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