General Information of the Compound
| Compound ID |
CP0398769
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| Compound Name |
1-(2-cyclopropylethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
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| Structure |
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| Formula |
C22H25N3O
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| Molecular Weight |
347.462
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| Canonical SMILES |
O=c1c(C#N)c(ccn1CCC1CC1)N1CCC(CC1)c1ccccc1
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| InChI |
InChI=1S/C22H25N3O/c23-16-20-21(11-15-25(22(20)26)12-8-17-6-7-17)24-13-9-19(10-14-24)18-4-2-1-3-5-18/h1-5,11,15,17,19H,6-10,12-14H2
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| InChIKey |
ORNXCULLRYHKRQ-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