General Information of the Compound
| Compound ID |
CP0412637
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| Compound Name |
1-methyl-4-[[6-(1-methylpyrazol-4-yl)pyridin-3-yl]methyl]-N-(oxan-4-yl)pyrrolo[2,3-b]pyridine-6-carboxamide
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| Structure |
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| Formula |
C24H26N6O2
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| Molecular Weight |
430.512
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| Canonical SMILES |
Cn1cc(cn1)-c1ccc(Cc2cc(nc3n(C)ccc23)C(=O)NC2CCOCC2)cn1
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| InChI |
InChI=1S/C24H26N6O2/c1-29-8-5-20-17(11-16-3-4-21(25-13-16)18-14-26-30(2)15-18)12-22(28-23(20)29)24(31)27-19-6-9-32-10-7-19/h3-5,8,12-15,19H,6-7,9-11H2,1-2H3,(H,27,31)
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| InChIKey |
OYSPYZFYHUIBOS-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: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01913, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5