General Information of the Compound
| Compound ID |
CP0726230
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| Compound Name |
2-[5-[4-(trifluoromethyl)piperidine-1-carbonyl]pyridin-2-yl]-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-4-one
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| Structure |
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| Formula |
C19H19F3N4O2
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| Molecular Weight |
392.381
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| Canonical SMILES |
O=C(c1ccc(-c2nc3c(c(=O)[nH]2)CCC3)nc1)N1CCC(C(F)(F)F)CC1
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| InChI |
InChI=1S/C19H19F3N4O2/c20-19(21,22)12-6-8-26(9-7-12)18(28)11-4-5-15(23-10-11)16-24-14-3-1-2-13(14)17(27)25-16/h4-5,10,12H,1-3,6-9H2,(H,24,25,27)
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| InChIKey |
PVGZXFYFRQWISN-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