General Information of the Compound
Compound ID |
CP0511517
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Compound Name |
2-(3-aminopiperidin-1-yl)-5-(1,3-benzoxazol-2-ylmethyl)-3-but-2-ynylimidazo[4,5-d]pyridazin-4-one
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Structure |
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Formula |
C22H23N7O2
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Molecular Weight |
417.473
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Canonical SMILES |
CC#CCn1c(nc2cnn(Cc3nc4ccccc4o3)c(=O)c12)N1CCCC(N)C1
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InChI |
InChI=1S/C22H23N7O2/c1-2-3-11-28-20-17(26-22(28)27-10-6-7-15(23)13-27)12-24-29(21(20)30)14-19-25-16-8-4-5-9-18(16)31-19/h4-5,8-9,12,15H,6-7,10-11,13-14,23H2,1H3
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InChIKey |
LEVQHEFNAMEETG-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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