General Information of the Compound
| Compound ID |
CP0519883
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| Compound Name |
7-[4-[2-[1-(benzenesulfonyl)indol-3-yl]ethylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one
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| Structure |
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| Formula |
C29H31N3O4S
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| Molecular Weight |
517.651
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| Canonical SMILES |
O=C1CCc2ccc(OCCCCNCCc3cn(c4ccccc34)S(=O)(=O)c3ccccc3)cc2N1
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| InChI |
InChI=1S/C29H31N3O4S/c33-29-15-13-22-12-14-24(20-27(22)31-29)36-19-7-6-17-30-18-16-23-21-32(28-11-5-4-10-26(23)28)37(34,35)25-8-2-1-3-9-25/h1-5,8-12,14,20-21,30H,6-7,13,15-19H2,(H,31,33)
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| InChIKey |
IJFJQGSENNDENR-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