General Information of the Compound
| Compound ID |
CP0820597
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| Compound Name |
2-(5-methyl-4-((4R)-2-methyl-4-(trifluoromethyl)piperidine-1-carbonyl)-1H-pyrazol-1-yl)-6,7-dihydro-3H-cyclopenta[d]pyrimidin-4(5H)-one
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| Structure |
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| Formula |
C19H22F3N5O2
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| Molecular Weight |
409.412
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| Canonical SMILES |
Cc1c(C(=O)N2CC[C@@H](C(F)(F)F)CC2C)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C19H22F3N5O2/c1-10-8-12(19(20,21)22)6-7-26(10)17(29)14-9-23-27(11(14)2)18-24-15-5-3-4-13(15)16(28)25-18/h9-10,12H,3-8H2,1-2H3,(H,24,25,28)/t10?,12-/m1/s1
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| InChIKey |
DWMVSSFXSVJUOK-TVKKRMFBSA-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