General Information of the Compound
| Compound ID |
CP0533014
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| Compound Name |
1-(cyclopropylmethyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile
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| Structure |
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| Formula |
C22H25N3O2
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| Molecular Weight |
363.461
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| Canonical SMILES |
COc1ccccc1C1CCN(CC1)c1ccn(CC2CC2)c(=O)c1C#N
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| InChI |
InChI=1S/C22H25N3O2/c1-27-21-5-3-2-4-18(21)17-8-11-24(12-9-17)20-10-13-25(15-16-6-7-16)22(26)19(20)14-23/h2-5,10,13,16-17H,6-9,11-12,15H2,1H3
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| InChIKey |
HRKXHGTUKIVFSS-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