General Information of the Compound
| Compound ID |
CP0468288
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| Compound Name |
N-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]ethyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C16H16ClF3N4O3
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| Molecular Weight |
404.776
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| Canonical SMILES |
C[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N(C)C)c1ccc(OC(F)(F)F)c(Cl)c1
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| InChI |
InChI=1S/C16H16ClF3N4O3/c1-8(9-4-5-12(10(17)6-9)27-16(18,19)20)21-14(26)11-7-13(25)23-15(22-11)24(2)3/h4-8H,1-3H3,(H,21,26)(H,22,23,25)/t8-/m1/s1
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| InChIKey |
INKBCZLTBJJWQI-MRVPVSSYSA-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