General Information of the Compound
| Compound ID |
CP0896648
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| Compound Name |
N-{4-[4-(3-Chlorophenyl)-piperazin-1-yl]-butyl}-6-chloro-3-quinolinesulfonamide hydrochloride
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| Structure |
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| Formula |
C23H27Cl3N4O2S
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| Molecular Weight |
529.921
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| Canonical SMILES |
Cl.O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1cnc2ccc(Cl)cc2c1
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| InChI |
InChI=1S/C23H26Cl2N4O2S.ClH/c24-19-4-3-5-21(16-19)29-12-10-28(11-13-29)9-2-1-8-27-32(30,31)22-15-18-14-20(25)6-7-23(18)26-17-22;/h3-7,14-17,27H,1-2,8-13H2;1H
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| InChIKey |
SMXXXLGQCNKWRP-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7