General Information of the Compound
| Compound ID |
CP0468326
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| Compound Name |
8-[4-[2-[4-[3-(azepan-1-yl)propoxy]phenyl]ethyl]piperazin-1-yl]quinoline-5-carbonitrile
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| Structure |
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| Formula |
C31H39N5O
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| Molecular Weight |
497.687
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| Canonical SMILES |
N#Cc1ccc(N2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2ncccc12
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| InChI |
InChI=1S/C31H39N5O/c32-25-27-10-13-30(31-29(27)7-5-15-33-31)36-22-20-35(21-23-36)19-14-26-8-11-28(12-9-26)37-24-6-18-34-16-3-1-2-4-17-34/h5,7-13,15H,1-4,6,14,16-24H2
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| InChIKey |
BQZCEWUNCDOHHN-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01206, Histamine H1 receptor
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2