General Information of the Compound
| Compound ID |
CP0913645
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| Compound Name |
5-chloro-6-methyl-2-(5-methyl-4-(4-(trifluoromethyl)piperidine-1-carbonyl)-1H-pyrazol-1-yl)pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C16H17ClF3N5O2
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| Molecular Weight |
403.792
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| Canonical SMILES |
Cc1nc(-n2ncc(C(=O)N3CCC(C(F)(F)F)CC3)c2C)[nH]c(=O)c1Cl
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| InChI |
InChI=1S/C16H17ClF3N5O2/c1-8-12(17)13(26)23-15(22-8)25-9(2)11(7-21-25)14(27)24-5-3-10(4-6-24)16(18,19)20/h7,10H,3-6H2,1-2H3,(H,22,23,26)
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| InChIKey |
VJXBZYQNBJSTAF-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