General Information of the Compound
| Compound ID |
CP0488996
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| Compound Name |
5-[6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1H-pyridin-2-one
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| Structure |
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| Formula |
C21H27N5O3S
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| Molecular Weight |
429.546
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| Canonical SMILES |
CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(=O)[nH]c1
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| InChI |
InChI=1S/C21H27N5O3S/c1-15(2)14-30(28,29)26-7-6-17-18(16-4-5-20(27)22-13-16)12-19(23-21(17)26)25-10-8-24(3)9-11-25/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,22,27)
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| InChIKey |
NPCMXOAZPFEQFC-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