General Information of the Compound
| Compound ID |
CP0713508
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| Compound Name |
2-(4-[[4-(trifluoromethyl)piperidin-1-yl]sulfonyl]pyridin-2-yl)-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-4-one
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| Structure |
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| Formula |
C18H19F3N4O3S
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| Molecular Weight |
428.436
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| Canonical SMILES |
O=c1[nH]c(-c2cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)ccn2)nc2c1CCC2
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| InChI |
InChI=1S/C18H19F3N4O3S/c19-18(20,21)11-5-8-25(9-6-11)29(27,28)12-4-7-22-15(10-12)16-23-14-3-1-2-13(14)17(26)24-16/h4,7,10-11H,1-3,5-6,8-9H2,(H,23,24,26)
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| InChIKey |
PYWMCZCABVZOAY-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