General Information of the Compound
| Compound ID |
CP0420134
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| Compound Name |
6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)-4-phenylpyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C22H28N4O2S
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| Molecular Weight |
412.559
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| Canonical SMILES |
CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccccc1
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| InChI |
InChI=1S/C22H28N4O2S/c1-17(2)16-29(27,28)26-10-9-19-20(18-7-5-4-6-8-18)15-21(23-22(19)26)25-13-11-24(3)12-14-25/h4-10,15,17H,11-14,16H2,1-3H3
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| InChIKey |
LABSLKNETFNUAU-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: PT01005, D(2) dopamine receptor