General Information of the Compound
| Compound ID |
CP0565494
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| Compound Name |
2-(dimethylamino)-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C16H17F3N4O2S
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| Molecular Weight |
386.399
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| Canonical SMILES |
C[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N(C)C)c1ccc(SC(F)(F)F)cc1
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| InChI |
InChI=1S/C16H17F3N4O2S/c1-9(10-4-6-11(7-5-10)26-16(17,18)19)20-14(25)12-8-13(24)22-15(21-12)23(2)3/h4-9H,1-3H3,(H,20,25)(H,21,22,24)/t9-/m1/s1
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| InChIKey |
HIXHPTMNHXGXPS-SECBINFHSA-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