General Information of the Compound
| Compound ID |
CP0043317
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| Compound Name |
N-[3-[5-(cyclohexylamino)-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]phenyl]acetamide
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| Structure |
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| Formula |
C25H28N6O
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| Molecular Weight |
428.54
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)-c1n[nH]c2cc(-c3cnn(C)c3)c(NC3CCCCC3)cc12
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| InChI |
InChI=1S/C25H28N6O/c1-16(32)27-20-10-6-7-17(11-20)25-22-13-23(28-19-8-4-3-5-9-19)21(12-24(22)29-30-25)18-14-26-31(2)15-18/h6-7,10-15,19,28H,3-5,8-9H2,1-2H3,(H,27,32)(H,29,30)
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| InChIKey |
RIOJOTOJNAHBST-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 = 283 nM
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