General Information of the Compound
| Compound ID |
CP0513787
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| Compound Name |
4-(pyrimidin-4-ylamino)-N-(4-(4-(trifluoromethoxy)phenyl)thiazol-2-yl)benzamide
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| Structure |
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| Formula |
C21H14F3N5O2S
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| Molecular Weight |
457.437
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| Canonical SMILES |
FC(F)(F)Oc1ccc(cc1)-c1csc(NC(=O)c2ccc(Nc3ccncn3)cc2)n1
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| InChI |
InChI=1S/C21H14F3N5O2S/c22-21(23,24)31-16-7-3-13(4-8-16)17-11-32-20(28-17)29-19(30)14-1-5-15(6-2-14)27-18-9-10-25-12-26-18/h1-12H,(H,25,26,27)(H,28,29,30)
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| InChIKey |
JJOCOXBSLIWSNT-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