General Information of the Compound
| Compound ID |
CP0171139
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| Compound Name |
N-cyclopropyl-4-[8-(oxan-4-ylmethylamino)-6-(propan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
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| Structure |
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| Formula |
C25H32N6O2
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| Molecular Weight |
448.571
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| Canonical SMILES |
CC(C)Nc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1
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| InChI |
InChI=1S/C25H32N6O2/c1-16(2)28-23-13-21(26-14-17-9-11-33-12-10-17)24-27-15-22(31(24)30-23)18-3-5-19(6-4-18)25(32)29-20-7-8-20/h3-6,13,15-17,20,26H,7-12,14H2,1-2H3,(H,28,30)(H,29,32)
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| InChIKey |
MBAODXXZPSUOLY-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: PT01348, Dual specificity protein kinase TTK
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000068 | A-549 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 91 nM
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