General Information of the Compound
| Compound ID |
CP0228499
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| Compound Name |
2,6-difluoro-N-[3-[3-[2-(pyridin-3-ylamino)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazin-2-yl]phenyl]benzamide
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| Structure |
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| Formula |
C28H18F2N8O
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| Molecular Weight |
520.503
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| Canonical SMILES |
Fc1cccc(F)c1C(=O)Nc1cccc(c1)-c1nn2ncccc2c1-c1ccnc(Nc2cccnc2)n1
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| InChI |
InChI=1S/C28H18F2N8O/c29-20-8-2-9-21(30)24(20)27(39)34-18-6-1-5-17(15-18)26-25(23-10-4-13-33-38(23)37-26)22-11-14-32-28(36-22)35-19-7-3-12-31-16-19/h1-16H,(H,34,39)(H,32,35,36)
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| InChIKey |
UNLLDSOHQDJGOG-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: PT01427, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase