General Information of the Compound
| Compound ID |
CP0418991
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| Compound Name |
[1-(benzenesulfonyl)-4-[2-(dimethylamino)ethyl]indol-2-yl]-phenylmethanone
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| Structure |
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| Formula |
C25H24N2O3S
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| Molecular Weight |
432.545
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| Canonical SMILES |
CN(C)CCc1cccc2n(c(cc12)C(=O)c1ccccc1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C25H24N2O3S/c1-26(2)17-16-19-12-9-15-23-22(19)18-24(25(28)20-10-5-3-6-11-20)27(23)31(29,30)21-13-7-4-8-14-21/h3-15,18H,16-17H2,1-2H3
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| InChIKey |
PBBGIYKMAVNTAL-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D
Protein ID: PT02458, 5-hydroxytryptamine receptor 1F
Protein ID: PT04894, 5-hydroxytryptamine receptor 5A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor