General Information of the Compound
| Compound ID |
CP0197783
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| Compound Name |
3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
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| Structure |
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| Formula |
C23H20F3N7O
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| Molecular Weight |
467.455
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| Canonical SMILES |
Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)nnc1-c1ccncn1
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| InChI |
InChI=1S/C23H20F3N7O/c1-33-20(31-32-21(33)19-9-10-27-14-30-19)13-28-17-7-4-6-15(11-17)22(34)29-12-16-5-2-3-8-18(16)23(24,25)26/h2-11,14,28H,12-13H2,1H3,(H,29,34)
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| InChIKey |
DFYJVEZNHJSNLL-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