General Information of the Compound
| Compound ID |
CP0463598
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| Compound Name |
1-(cyclopropylmethyl)-2-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C22H22F3N3O
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| Molecular Weight |
401.432
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
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| InChI |
InChI=1S/C22H22F3N3O/c23-22(24,25)18-3-1-2-17(12-18)16-6-9-27(10-7-16)20-8-11-28(14-15-4-5-15)21(29)19(20)13-26/h1-3,8,11-12,15-16H,4-7,9-10,14H2
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| InChIKey |
IZDHHVCYXGWTJF-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