General Information of the Compound
| Compound ID |
CP0063378
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| Compound Name |
US8815840, 488
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| Structure |
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| Formula |
C23H22N4O2
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| Molecular Weight |
386.455
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| Canonical SMILES |
Cc1ccc(cn1)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)N1CCOCC1
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| InChI |
InChI=1S/C23H22N4O2/c1-14-2-3-15(13-25-14)16-10-19-18-5-4-17(27-6-8-29-9-7-27)12-21(18)26-22(19)20(11-16)23(24)28/h2-5,10-13,26H,6-9H2,1H3,(H2,24,28)
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| InChIKey |
YMYWXSBNLNQOAB-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: PT01214, Tyrosine-protein kinase JAK2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000068 | A-549 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 2000 nM
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TI
LI
LO
TS
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