General Information of the Compound
| Compound ID |
CP0453916
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| Compound Name |
3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]benzenesulfonamide
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| Structure |
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| Formula |
C21H27ClN2O3S
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| Molecular Weight |
422.978
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| Canonical SMILES |
CC(C)c1ccccc1OCCN1CCC(C1)NS(=O)(=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C21H27ClN2O3S/c1-16(2)20-8-3-4-9-21(20)27-13-12-24-11-10-18(15-24)23-28(25,26)19-7-5-6-17(22)14-19/h3-9,14,16,18,23H,10-13,15H2,1-2H3
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| InChIKey |
VLUZXILOPLVBGT-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor