General Information of the Compound
| Compound ID |
CP0390674
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| Compound Name |
1-(benzenesulfonyl)-4-(1-cyclobutylpiperidin-4-yl)-2,3-dihydroindole
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| Structure |
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| Formula |
C23H28N2O2S
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| Molecular Weight |
396.556
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| Canonical SMILES |
O=S(=O)(N1CCc2c1cccc2C1CCN(CC1)C1CCC1)c1ccccc1
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| InChI |
InChI=1S/C23H28N2O2S/c26-28(27,20-8-2-1-3-9-20)25-17-14-22-21(10-5-11-23(22)25)18-12-15-24(16-13-18)19-6-4-7-19/h1-3,5,8-11,18-19H,4,6-7,12-17H2
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| InChIKey |
CIFWZVFZJHWVIS-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: PT01005, D(2) dopamine receptor
Protein ID: PT01194, Histamine H3 receptor