General Information of the Compound
| Compound ID |
CP0513677
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| Compound Name |
2-[[(2S)-2-aminopropyl]amino]-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 |
C22H24N8O
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| Molecular Weight |
416.489
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| Canonical SMILES |
CC#CCn1c(NC[C@H](C)N)nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c12
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| InChI |
InChI=1S/C22H24N8O/c1-4-5-10-29-20-18(28-22(29)24-11-14(2)23)12-25-30(21(20)31)13-19-26-15(3)16-8-6-7-9-17(16)27-19/h6-9,12,14H,10-11,13,23H2,1-3H3,(H,24,28)/t14-/m0/s1
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| InChIKey |
HYBQECPBYZXFJO-AWEZNQCLSA-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