General Information of the Compound
| Compound ID |
CP0492417
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| Compound Name |
4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(cyclopropylmethyl)-2-oxopyridine-3-carbonitrile
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| Structure |
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| Formula |
C21H22ClN3O
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| Molecular Weight |
367.88
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| Canonical SMILES |
Clc1ccc(cc1)C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
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| InChI |
InChI=1S/C21H22ClN3O/c22-18-5-3-16(4-6-18)17-7-10-24(11-8-17)20-9-12-25(14-15-1-2-15)21(26)19(20)13-23/h3-6,9,12,15,17H,1-2,7-8,10-11,14H2
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| InChIKey |
CYEVYHYUSDSIOH-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