General Information of the Compound
| Compound ID |
CP0437322
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| Compound Name |
2-(2-aminoethylamino)-3-but-2-ynyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one
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| Structure |
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| Formula |
C21H22N8O
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| Molecular Weight |
402.462
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| Canonical SMILES |
CC#CCn1c(NCCN)nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c12
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| InChI |
InChI=1S/C21H22N8O/c1-3-4-11-28-19-17(27-21(28)23-10-9-22)12-24-29(20(19)30)13-18-25-14(2)15-7-5-6-8-16(15)26-18/h5-8,12H,9-11,13,22H2,1-2H3,(H,23,27)
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| InChIKey |
XQXLKLOWYXOIOJ-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: PT00907, Dipeptidyl peptidase 4
Protein ID: PT01310, Muscarinic acetylcholine receptor M1