General Information of the Compound
| Compound ID |
CP0458453
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| Compound Name |
2-(3-chlorophenyl)sulfonyl-5-[2-(2-phenylphenoxy)ethyl]-2,5-diazabicyclo[2.2.1]heptane
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| Structure |
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| Formula |
C25H25ClN2O3S
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| Molecular Weight |
469.006
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| Canonical SMILES |
Clc1cccc(c1)S(=O)(=O)N1CC2CC1CN2CCOc1ccccc1-c1ccccc1
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| InChI |
InChI=1S/C25H25ClN2O3S/c26-20-9-6-10-23(15-20)32(29,30)28-18-21-16-22(28)17-27(21)13-14-31-25-12-5-4-11-24(25)19-7-2-1-3-8-19/h1-12,15,21-22H,13-14,16-18H2
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| InChIKey |
LJMMLMKKDZNCGE-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