General Information of the Compound
| Compound ID |
CP0502072
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| Compound Name |
5-[2-[2,2-dimethyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1-methylquinolin-2-one
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| Structure |
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| Formula |
C28H32N4O
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| Molecular Weight |
440.591
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| Canonical SMILES |
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3n(C)c(=O)ccc23)C(C)(C)C1
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| InChI |
InChI=1S/C28H32N4O/c1-20-11-12-23-24(29-20)8-6-10-26(23)31-17-18-32(28(2,3)19-31)16-15-21-7-5-9-25-22(21)13-14-27(33)30(25)4/h5-14H,15-19H2,1-4H3
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| InChIKey |
JQWQLAFJHNYDAM-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