General Information of the Compound
| Compound ID |
CP0446519
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| Compound Name |
2-(benzenesulfonyl)-5-(4-ethylpiperazin-1-yl)-1,3-dihydroisoindole
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| Structure |
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| Formula |
C20H25N3O2S
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| Molecular Weight |
371.506
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| Canonical SMILES |
CCN1CCN(CC1)c1ccc2CN(Cc2c1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C20H25N3O2S/c1-2-21-10-12-22(13-11-21)19-9-8-17-15-23(16-18(17)14-19)26(24,25)20-6-4-3-5-7-20/h3-9,14H,2,10-13,15-16H2,1H3
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| InChIKey |
SISRHQZVDUZECY-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: PT00943, D(3) dopamine receptor
Protein ID: PT01194, Histamine H3 receptor