General Information of the Compound
| Compound ID |
CP0393441
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| Compound Name |
N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]naphthalene-1-sulfonamide
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| Structure |
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| Formula |
C27H28ClN3O2S
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| Molecular Weight |
494.06
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| Canonical SMILES |
Clc1ccc2[nH]cc(C3=CCN(CCCCNS(=O)(=O)c4cccc5ccccc45)CC3)c2c1
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| InChI |
InChI=1S/C27H28ClN3O2S/c28-22-10-11-26-24(18-22)25(19-29-26)21-12-16-31(17-13-21)15-4-3-14-30-34(32,33)27-9-5-7-20-6-1-2-8-23(20)27/h1-2,5-12,18-19,29-30H,3-4,13-17H2
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| InChIKey |
KOMBSQZUWFYWJG-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