General Information of the Compound
| Compound ID |
CP0406077
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| Compound Name |
1,6-dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydroquinolin-2-one
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| Structure |
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| Formula |
C27H32N4O
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| Molecular Weight |
428.58
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| Canonical SMILES |
CN1C(=O)CCc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)c(C)ccc12
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| InChI |
InChI=1S/C27H32N4O/c1-19-7-11-25-22(10-12-27(32)29(25)3)21(19)13-14-30-15-17-31(18-16-30)26-6-4-5-24-23(26)9-8-20(2)28-24/h4-9,11H,10,12-18H2,1-3H3
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| InChIKey |
PDLXDQOODGXTSQ-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00871, Sodium-dependent serotonin transporter