General Information of the Compound
| Compound ID |
CP0482524
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| Compound Name |
2-(benzenesulfonyl)-5-(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)c1ccc2CN(Cc2c1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C22H28N2O2S/c1-2-12-23-13-10-18(11-14-23)19-8-9-20-16-24(17-21(20)15-19)27(25,26)22-6-4-3-5-7-22/h3-9,15,18H,2,10-14,16-17H2,1H3
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| InChIKey |
HPEHGGUDPLECHX-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