General Information of the Compound
| Compound ID |
CP0466922
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| Compound Name |
2-(3-chlorophenyl)sulfonyl-5-[2-(2-propan-2-ylphenoxy)ethyl]-2,5-diazabicyclo[2.2.1]heptane
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| Structure |
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| Formula |
C22H27ClN2O3S
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| Molecular Weight |
434.989
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| Canonical SMILES |
CC(C)c1ccccc1OCCN1CC2CC1CN2S(=O)(=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C22H27ClN2O3S/c1-16(2)21-8-3-4-9-22(21)28-11-10-24-14-19-13-18(24)15-25(19)29(26,27)20-7-5-6-17(23)12-20/h3-9,12,16,18-19H,10-11,13-15H2,1-2H3
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| InChIKey |
NUCXFGWUJCRUEU-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: PT00941, 5-hydroxytryptamine receptor 7