General Information of the Compound
| Compound ID |
CP0403349
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| Compound Name |
N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-3-methylbenzenesulfonamide
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| Structure |
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| Formula |
C24H28ClN3O2S
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| Molecular Weight |
458.027
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| Canonical SMILES |
Cc1cccc(c1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12
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| InChI |
InChI=1S/C24H28ClN3O2S/c1-18-5-4-6-21(15-18)31(29,30)27-11-2-3-12-28-13-9-19(10-14-28)23-17-26-24-8-7-20(25)16-22(23)24/h4-9,15-17,26-27H,2-3,10-14H2,1H3
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| InChIKey |
OFJQZOJUBWFTCD-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