General Information of the Compound
| Compound ID |
CP0449722
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| Compound Name |
3-(3-oxo-3-piperidin-1-ylpropyl)-1-(2-phenylethyl)quinoxalin-2-one
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| Structure |
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| Formula |
C24H27N3O2
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| Molecular Weight |
389.499
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| Canonical SMILES |
O=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)N1CCCCC1
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| InChI |
InChI=1S/C24H27N3O2/c28-23(26-16-7-2-8-17-26)14-13-21-24(29)27(18-15-19-9-3-1-4-10-19)22-12-6-5-11-20(22)25-21/h1,3-6,9-12H,2,7-8,13-18H2
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| InChIKey |
HLHIBUVFWATTTK-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
Protein ID: PT01305, 3',5'-cyclic-AMP phosphodiesterase 4B
Protein ID: PT00212, Phosphodiesterase