General Information of the Compound
| Compound ID |
CP0407461
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| Compound Name |
4-[6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridin-4-yl]benzonitrile
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| Structure |
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| Formula |
C23H27N5O2S
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| Molecular Weight |
437.569
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| Canonical SMILES |
CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C23H27N5O2S/c1-17(2)16-31(29,30)28-9-8-20-21(19-6-4-18(15-24)5-7-19)14-22(25-23(20)28)27-12-10-26(3)11-13-27/h4-9,14,17H,10-13,16H2,1-3H3
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| InChIKey |
STZIWXJYZJCDMR-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