General Information of the Compound
| Compound ID |
CP0468287
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| Compound Name |
2-(dimethylamino)-N-[(1R)-2-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]propyl]-6-oxo-1H-pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C18H21F3N4O2S
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| Molecular Weight |
414.453
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| Canonical SMILES |
CC(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/C18H21F3N4O2S/c1-10(2)15(11-5-7-12(8-6-11)28-18(19,20)21)24-16(27)13-9-14(26)23-17(22-13)25(3)4/h5-10,15H,1-4H3,(H,24,27)(H,22,23,26)/t15-/m1/s1
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| InChIKey |
RTAPSDDIHRJROQ-OAHLLOKOSA-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