General Information of the Compound
| Compound ID |
CP0510999
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| Compound Name |
1-(cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)pyridin-2-one
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| Structure |
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| Formula |
C21H23F3N2O
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| Molecular Weight |
376.422
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| Canonical SMILES |
FC(F)(F)c1c(ccn(CC2CC2)c1=O)N1CCC(CC1)c1ccccc1
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| InChI |
InChI=1S/C21H23F3N2O/c22-21(23,24)19-18(10-13-26(20(19)27)14-15-6-7-15)25-11-8-17(9-12-25)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2
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| InChIKey |
UTDUPZRTTJVHAB-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