General Information of the Compound
| Compound ID |
CP0761041
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| Compound Name |
2-(5-methyl-4-(4-(1,1,1-trifluoro-2-hydroxypropan-2-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 |
C20H24F3N5O3
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| Molecular Weight |
439.438
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(C(C)(O)C(F)(F)F)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C20H24F3N5O3/c1-11-14(10-24-28(11)18-25-15-5-3-4-13(15)16(29)26-18)17(30)27-8-6-12(7-9-27)19(2,31)20(21,22)23/h10,12,31H,3-9H2,1-2H3,(H,25,26,29)
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| InChIKey |
WYPLLTFXVFUKFT-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