General Information of the Compound
| Compound ID |
CP0571682
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| Compound Name |
2-[4-[3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]propyl]piperazin-1-yl]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C22H25N5O2
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| Molecular Weight |
391.475
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| Canonical SMILES |
O=C1CCc2ccc(OCCCN3CCN(CC3)c3ncccc3C#N)cc2N1
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| InChI |
InChI=1S/C22H25N5O2/c23-16-18-3-1-8-24-22(18)27-12-10-26(11-13-27)9-2-14-29-19-6-4-17-5-7-21(28)25-20(17)15-19/h1,3-4,6,8,15H,2,5,7,9-14H2,(H,25,28)
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| InChIKey |
VZLAEFHZBRUVDC-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor