General Information of the Compound
| Compound ID |
CP0437323
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| Compound Name |
3-but-2-ynyl-5-[(4-methylquinazolin-2-yl)methyl]-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one
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| Structure |
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| Formula |
C23H24N8O
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| Molecular Weight |
428.5
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| Canonical SMILES |
CC#CCn1c(nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCNCC1
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| InChI |
InChI=1S/C23H24N8O/c1-3-4-11-30-21-19(28-23(30)29-12-9-24-10-13-29)14-25-31(22(21)32)15-20-26-16(2)17-7-5-6-8-18(17)27-20/h5-8,14,24H,9-13,15H2,1-2H3
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| InChIKey |
KCLCDRRJZBNLBW-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