General Information of the Compound
| Compound ID |
CP0459054
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| Compound Name |
1-(benzenesulfonyl)-6-(4-cyclobutylpiperazin-1-yl)-2,3-dihydroindole
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| Structure |
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| Formula |
C22H27N3O2S
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| Molecular Weight |
397.544
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| Canonical SMILES |
O=S(=O)(N1CCc2ccc(cc12)N1CCN(CC1)C1CCC1)c1ccccc1
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| InChI |
InChI=1S/C22H27N3O2S/c26-28(27,21-7-2-1-3-8-21)25-12-11-18-9-10-20(17-22(18)25)24-15-13-23(14-16-24)19-5-4-6-19/h1-3,7-10,17,19H,4-6,11-16H2
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| InChIKey |
LQIJGBZSCQJUGS-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor