General Information of the Compound
| Compound ID |
CP0406076
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| Compound Name |
1,6-dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperidin-1-yl]ethyl]quinolin-2-one
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| Structure |
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| Formula |
C28H31N3O
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| Molecular Weight |
425.576
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| Canonical SMILES |
Cc1ccc2c(cccc2n1)C1CCN(CCc2c(C)ccc3n(C)c(=O)ccc23)CC1
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| InChI |
InChI=1S/C28H31N3O/c1-19-7-11-27-25(10-12-28(32)30(27)3)22(19)15-18-31-16-13-21(14-17-31)23-5-4-6-26-24(23)9-8-20(2)29-26/h4-12,21H,13-18H2,1-3H3
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| InChIKey |
XXWZKIFEDVSRQM-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