General Information of the Compound
| Compound ID |
CP0398684
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| Compound Name |
7-[4-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
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| Structure |
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| Formula |
C31H34N4O4S
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| Molecular Weight |
558.704
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| Canonical SMILES |
O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4n(ccc34)S(=O)(=O)c3ccccc3)cc2N1
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| InChI |
InChI=1S/C31H34N4O4S/c36-31-14-12-24-11-13-25(23-28(24)32-31)39-22-5-4-16-33-18-20-34(21-19-33)29-9-6-10-30-27(29)15-17-35(30)40(37,38)26-7-2-1-3-8-26/h1-3,6-11,13,15,17,23H,4-5,12,14,16,18-22H2,(H,32,36)
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| InChIKey |
MVUPPHQTJNNNFZ-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