General Information of the Compound
| Compound ID |
CP0411522
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| Compound Name |
7-[3-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
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| Structure |
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| Formula |
C30H32N4O4S
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| Molecular Weight |
544.677
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| Canonical SMILES |
O=C1CCc2ccc(OCCCN3CCN(CC3)c3cccc4n(ccc34)S(=O)(=O)c3ccccc3)cc2N1
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| InChI |
InChI=1S/C30H32N4O4S/c35-30-13-11-23-10-12-24(22-27(23)31-30)38-21-5-15-32-17-19-33(20-18-32)28-8-4-9-29-26(28)14-16-34(29)39(36,37)25-6-2-1-3-7-25/h1-4,6-10,12,14,16,22H,5,11,13,15,17-21H2,(H,31,35)
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| InChIKey |
HIURADGFEHNSHY-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