General Information of the Compound
| Compound ID |
CP0437329
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| Compound Name |
4-[[2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-4-oxoimidazo[4,5-d]pyridazin-5-yl]methyl]naphthalene-1-carbonitrile
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| Structure |
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| Formula |
C26H25N7O
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| Molecular Weight |
451.534
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| Canonical SMILES |
CC#CCn1c(nc2cnn(Cc3ccc(C#N)c4ccccc34)c(=O)c12)N1CCCC(N)C1
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| InChI |
InChI=1S/C26H25N7O/c1-2-3-13-32-24-23(30-26(32)31-12-6-7-20(28)17-31)15-29-33(25(24)34)16-19-11-10-18(14-27)21-8-4-5-9-22(19)21/h4-5,8-11,15,20H,6-7,12-13,16-17,28H2,1H3
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| InChIKey |
MUFOTJYSFCKGKD-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