General Information of the Compound
| Compound ID |
CP0559558
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| Compound Name |
4-[6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridin-4-yl]phenol
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| Structure |
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| Formula |
C22H28N4O3S
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| Molecular Weight |
428.558
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| Canonical SMILES |
CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(O)cc1
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| InChI |
InChI=1S/C22H28N4O3S/c1-16(2)15-30(28,29)26-9-8-19-20(17-4-6-18(27)7-5-17)14-21(23-22(19)26)25-12-10-24(3)11-13-25/h4-9,14,16,27H,10-13,15H2,1-3H3
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| InChIKey |
YLOWHETUDKIVOI-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