General Information of the Compound
| Compound ID |
CP0425664
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| Compound Name |
3-Biphenyl-4-yl-5-methyl-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
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| Structure |
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| Formula |
C22H16F3N3
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| Molecular Weight |
379.385
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| Canonical SMILES |
Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C22H16F3N3/c1-15-26-27-21(28(15)20-10-6-5-9-19(20)22(23,24)25)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,1H3
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| InChIKey |
PBZZVMAQTLBVFE-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
Protein ID: PT02766, Sodium- and chloride-dependent glycine transporter 1
Protein ID: PT06071, Sodium- and chloride-dependent glycine transporter 2