General Information of the Compound
| Compound ID |
CP0212171
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| Compound Name |
1-(2-Bromo benzenesulfonyl)-5-(4-ethylpiperazin-1-yl-methyl)-1H-indole
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| Structure |
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| Formula |
C21H24BrN3O2S
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| Molecular Weight |
462.413
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| Canonical SMILES |
CCN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccccc2Br)CC1
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| InChI |
InChI=1S/C21H24BrN3O2S/c1-2-23-11-13-24(14-12-23)16-17-7-8-20-18(15-17)9-10-25(20)28(26,27)21-6-4-3-5-19(21)22/h3-10,15H,2,11-14,16H2,1H3
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| InChIKey |
LKWNMPNQULFQLQ-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: PT01307, 5-hydroxytryptamine receptor 4
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01310, Muscarinic acetylcholine receptor M1