General Information of the Compound
| Compound ID |
CP0552340
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| Compound Name |
[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(1,4-oxazepan-4-yl)methanone
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| Structure |
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| Formula |
C15H14Cl2N2O2S
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| Molecular Weight |
357.262
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| Canonical SMILES |
Clc1cccc(-c2nc(cs2)C(=O)N2CCCOCC2)c1Cl
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| InChI |
InChI=1S/C15H14Cl2N2O2S/c16-11-4-1-3-10(13(11)17)14-18-12(9-22-14)15(20)19-5-2-7-21-8-6-19/h1,3-4,9H,2,5-8H2
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| InChIKey |
PKMMKCVGESYJCN-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