General Information of the Compound
| Compound ID |
CP0812550
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| Compound Name |
2-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyrazol-1-yl]-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-4-one
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| Structure |
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| Formula |
C17H18F3N5O2
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| Molecular Weight |
381.358
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| Canonical SMILES |
O=C(c1cnn(-c2nc3c(c(=O)[nH]2)CCC3)c1)N1CCC(C(F)(F)F)CC1
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| InChI |
InChI=1S/C17H18F3N5O2/c18-17(19,20)11-4-6-24(7-5-11)15(27)10-8-21-25(9-10)16-22-13-3-1-2-12(13)14(26)23-16/h8-9,11H,1-7H2,(H,22,23,26)
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| InChIKey |
ULVNMFIYXMOBQH-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