General Information of the Compound
| Compound ID |
CP0398681
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| Compound Name |
7-[4-[4-[1-(benzenesulfonyl)indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
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| Structure |
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| Formula |
C32H33N3O4S
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| Molecular Weight |
555.7
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| Canonical SMILES |
O=C1CCc2ccc(OCCCCN3CCC(=CC3)c3cn(c4ccccc34)S(=O)(=O)c3ccccc3)cc2N1
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| InChI |
InChI=1S/C32H33N3O4S/c36-32-15-13-25-12-14-26(22-30(25)33-32)39-21-7-6-18-34-19-16-24(17-20-34)29-23-35(31-11-5-4-10-28(29)31)40(37,38)27-8-2-1-3-9-27/h1-5,8-12,14,16,22-23H,6-7,13,15,17-21H2,(H,33,36)
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| InChIKey |
POTCTIWPEKKBBZ-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