General Information of the Compound
| Compound ID |
CP0388750
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| Compound Name |
1-[4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]piperidin-1-yl]ethanone
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| Structure |
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| Formula |
C31H39N3O2
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| Molecular Weight |
485.672
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| Canonical SMILES |
CC(=O)N1CCC(CC1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
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| InChI |
InChI=1S/C31H39N3O2/c1-23-9-10-29-30(32-23)7-4-8-31(29)36-20-19-33-15-11-25(12-16-33)21-26-5-3-6-28(22-26)27-13-17-34(18-14-27)24(2)35/h3-10,22,25,27H,11-21H2,1-2H3
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| InChIKey |
VNCBQAWGECHWAH-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