General Information of the Compound
| Compound ID |
CP0393444
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| Compound Name |
N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-hydroxybenzenesulfonamide
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| Structure |
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| Formula |
C21H22ClN3O3S
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| Molecular Weight |
431.945
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| Canonical SMILES |
Oc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12
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| InChI |
InChI=1S/C21H22ClN3O3S/c22-16-4-5-21-19(12-16)20(14-23-21)15-6-9-25(10-7-15)11-8-24-29(27,28)18-3-1-2-17(26)13-18/h1-6,12-14,23-24,26H,7-11H2
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| InChIKey |
IAILMXLUNTXPAW-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00871, Sodium-dependent serotonin transporter