General Information of the Compound
| Compound ID |
CP0463608
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| Compound Name |
1-(cyclopropylmethyl)-4-[4-(3,5-difluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile
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| Structure |
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| Formula |
C21H21F2N3O
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| Molecular Weight |
369.415
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| Canonical SMILES |
Fc1cc(F)cc(c1)C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
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| InChI |
InChI=1S/C21H21F2N3O/c22-17-9-16(10-18(23)11-17)15-3-6-25(7-4-15)20-5-8-26(13-14-1-2-14)21(27)19(20)12-24/h5,8-11,14-15H,1-4,6-7,13H2
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| InChIKey |
NDAAABJMBJNECQ-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