General Information of the Compound
| Compound ID |
CP0823422
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| Compound Name |
2-(3-(4-(trifluoromethyl)piperidine-1-carbonyl)-1H-pyrrol-1-yl)-6,7-dihydro-3H-cyclopenta[d]pyrimidin-4(5H)-one
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| Structure |
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| Formula |
C18H19F3N4O2
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| Molecular Weight |
380.37
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| Canonical SMILES |
O=C(c1ccn(-c2nc3c(c(=O)[nH]2)CCC3)c1)N1CCC(C(F)(F)F)CC1
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| InChI |
InChI=1S/C18H19F3N4O2/c19-18(20,21)12-5-8-24(9-6-12)16(27)11-4-7-25(10-11)17-22-14-3-1-2-13(14)15(26)23-17/h4,7,10,12H,1-3,5-6,8-9H2,(H,22,23,26)
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| InChIKey |
NXMMGXKNKIACHZ-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