General Information of the Compound
Compound ID |
CP0459057
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Compound Name |
2-(benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-1,3-dihydroisoindole
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Structure |
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Formula |
C22H28N2O2S
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Molecular Weight |
384.545
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Canonical SMILES |
CCCN1CCC(CC1)c1cccc2CN(Cc12)S(=O)(=O)c1ccccc1
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InChI |
InChI=1S/C22H28N2O2S/c1-2-13-23-14-11-18(12-15-23)21-10-6-7-19-16-24(17-22(19)21)27(25,26)20-8-4-3-5-9-20/h3-10,18H,2,11-17H2,1H3
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InChIKey |
RAHMRVGFEYIRFT-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00943, D(3) dopamine receptor