General Information of the Compound
| Compound ID |
CP0909399
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| Compound Name |
2-(5-methyl-4-(4-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)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 |
C20H20F3N7O3
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| Molecular Weight |
463.42
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(c3noc(C(F)(F)F)n3)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C20H20F3N7O3/c1-10-13(9-24-30(10)19-25-14-4-2-3-12(14)16(31)27-19)17(32)29-7-5-11(6-8-29)15-26-18(33-28-15)20(21,22)23/h9,11H,2-8H2,1H3,(H,25,27,31)
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| InChIKey |
OSFYKARRZMRFHT-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