General Information of the Compound
| Compound ID |
CP0447151
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| Compound Name |
N-[4-[4-(5-chloro-2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-3-methylbenzenesulfonamide
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| Structure |
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| Formula |
C25H30ClN3O2S
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| Molecular Weight |
472.054
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| Canonical SMILES |
Cc1[nH]c2ccc(Cl)cc2c1C1=CCN(CCCCNS(=O)(=O)c2cccc(C)c2)CC1
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| InChI |
InChI=1S/C25H30ClN3O2S/c1-18-6-5-7-22(16-18)32(30,31)27-12-3-4-13-29-14-10-20(11-15-29)25-19(2)28-24-9-8-21(26)17-23(24)25/h5-10,16-17,27-28H,3-4,11-15H2,1-2H3
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| InChIKey |
FFITVORVMLXMEI-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