General Information of the Compound
| Compound ID |
CP0508220
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| Compound Name |
4-[4-(2-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 |
Clc1ccccc1C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
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| InChI |
InChI=1S/C21H22ClN3O/c22-19-4-2-1-3-17(19)16-7-10-24(11-8-16)20-9-12-25(14-15-5-6-15)21(26)18(20)13-23/h1-4,9,12,15-16H,5-8,10-11,14H2
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| InChIKey |
MQNONJFZYGLRBE-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