General Information of the Compound
| Compound ID |
CP0521790
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| Compound Name |
[2-(2,3-dimethylphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
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| Structure |
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| Formula |
C16H18N2O2S
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| Molecular Weight |
302.399
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| Canonical SMILES |
Cc1cccc(-c2nc(cs2)C(=O)N2CCOCC2)c1C
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| InChI |
InChI=1S/C16H18N2O2S/c1-11-4-3-5-13(12(11)2)15-17-14(10-21-15)16(19)18-6-8-20-9-7-18/h3-5,10H,6-9H2,1-2H3
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| InChIKey |
XYCQWEVLFNHMMI-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