General Information of the Compound
| Compound ID |
CP0505428
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| Compound Name |
5-[2-[4-(7-fluoro-2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1,6-dimethylquinolin-2-one
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| Structure |
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| Formula |
C27H29FN4O
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| Molecular Weight |
444.554
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| Canonical SMILES |
Cc1ccc2c(cc(F)cc2n1)N1CCN(CCc2c(C)ccc3n(C)c(=O)ccc23)CC1
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| InChI |
InChI=1S/C27H29FN4O/c1-18-4-8-25-22(7-9-27(33)30(25)3)21(18)10-11-31-12-14-32(15-13-31)26-17-20(28)16-24-23(26)6-5-19(2)29-24/h4-9,16-17H,10-15H2,1-3H3
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| InChIKey |
HRWBYOOBXRZGGR-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