General Information of the Compound
| Compound ID |
CP0482523
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| Compound Name |
2-(benzenesulfonyl)-4-(4-cyclobutylpiperazin-1-yl)-1,3-dihydroisoindole
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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)(N1Cc2cccc(N3CCN(CC3)C3CCC3)c2C1)c1ccccc1
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| InChI |
InChI=1S/C22H27N3O2S/c26-28(27,20-9-2-1-3-10-20)25-16-18-6-4-11-22(21(18)17-25)24-14-12-23(13-15-24)19-7-5-8-19/h1-4,6,9-11,19H,5,7-8,12-17H2
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| InChIKey |
FEUOYGFGQUAIGL-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