General Information of the Compound
| Compound ID |
CP0648464
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| Compound Name |
Methyl(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]ethyl}-phenyl)carbamate
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| Structure |
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| Formula |
C24H28N4O2
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| Molecular Weight |
404.514
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| Canonical SMILES |
COC(=O)Nc1cccc(CCN2CCN(c3cccc4nc(C)ccc34)CC2)c1
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| InChI |
InChI=1S/C24H28N4O2/c1-18-9-10-21-22(25-18)7-4-8-23(21)28-15-13-27(14-16-28)12-11-19-5-3-6-20(17-19)26-24(29)30-2/h3-10,17H,11-16H2,1-2H3,(H,26,29)
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| InChIKey |
WBUCFEOIQMRVHB-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