General Information of the Compound
| Compound ID |
CP0524972
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| Compound Name |
4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide
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| Structure |
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| Formula |
C22H21F3N4O2
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| Molecular Weight |
430.43
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| Canonical SMILES |
CC(C)NC(=O)c1ccc(Nc2ncc(C)c(n2)-c2ccc(OC(F)(F)F)cc2)cc1
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| InChI |
InChI=1S/C22H21F3N4O2/c1-13(2)27-20(30)16-4-8-17(9-5-16)28-21-26-12-14(3)19(29-21)15-6-10-18(11-7-15)31-22(23,24)25/h4-13H,1-3H3,(H,27,30)(H,26,28,29)
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| InChIKey |
WGYTUUQLHWUBBR-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