General Information of the Compound
| Compound ID |
CP0768937
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| Compound Name |
5-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C17H17F6N5O2
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| Molecular Weight |
437.344
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| Canonical SMILES |
Cc1c(C(=O)N(CCC(F)(F)F)CC(F)(F)F)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C17H17F6N5O2/c1-9-11(14(30)27(8-17(21,22)23)6-5-16(18,19)20)7-24-28(9)15-25-12-4-2-3-10(12)13(29)26-15/h7H,2-6,8H2,1H3,(H,25,26,29)
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| InChIKey |
QQHVVISCHVBOGN-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