General Information of the Compound
| Compound ID |
CP0366329
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| Compound Name |
4-[6-(4-cyanophenyl)-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
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| Structure |
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| Formula |
C29H28N6O2
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| Molecular Weight |
492.583
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| Canonical SMILES |
O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)nc(cn12)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C29H28N6O2/c30-15-19-1-3-21(4-2-19)25-18-35-26(22-5-7-23(8-6-22)29(36)33-24-9-10-24)17-32-28(35)27(34-25)31-16-20-11-13-37-14-12-20/h1-8,17-18,20,24H,9-14,16H2,(H,31,34)(H,33,36)
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| InChIKey |
JINYSAXSJDFQNT-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 = 79 nM
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