General Information of the Compound
| Compound ID |
CP0463341
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| Compound Name |
[4-(hydroxymethyl)piperidin-1-yl]-(2-methyl-5-naphthalen-1-ylthiophen-3-yl)methanone
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| Structure |
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| Formula |
C22H23NO2S
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| Molecular Weight |
365.498
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| Canonical SMILES |
Cc1sc(cc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
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| InChI |
InChI=1S/C22H23NO2S/c1-15-20(22(25)23-11-9-16(14-24)10-12-23)13-21(26-15)19-8-4-6-17-5-2-3-7-18(17)19/h2-8,13,16,24H,9-12,14H2,1H3
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| InChIKey |
DFBAJMHPAOQEHR-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C