General Information of the Compound
| Compound ID |
CP0904743
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| Compound Name |
N-{4-[4-(4-Chlorophenyl)-piperazin-1-yl]-butyl}-4-isoquinolinesulfonamide hydrochloride
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| Structure |
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| Formula |
C23H28Cl2N4O2S
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| Molecular Weight |
495.476
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| Canonical SMILES |
Cl.O=S(=O)(NCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1cncc2ccccc12
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| InChI |
InChI=1S/C23H27ClN4O2S.ClH/c24-20-7-9-21(10-8-20)28-15-13-27(14-16-28)12-4-3-11-26-31(29,30)23-18-25-17-19-5-1-2-6-22(19)23;/h1-2,5-10,17-18,26H,3-4,11-16H2;1H
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| InChIKey |
ZJCIDSKJOSUSGW-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