General Information of the Compound
| Compound ID |
CP0252812
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| Compound Name |
US8815840, 164
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| Structure |
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| Formula |
C24H19Cl2N3O3
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| Molecular Weight |
468.34
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| Canonical SMILES |
NC(=O)c1cc(cc2c3cc(ccc3[nH]c12)C(=O)N1CCOCC1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C24H19Cl2N3O3/c25-15-2-3-16(20(26)12-15)14-10-18-17-9-13(24(31)29-5-7-32-8-6-29)1-4-21(17)28-22(18)19(11-14)23(27)30/h1-4,9-12,28H,5-8H2,(H2,27,30)
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| InChIKey |
ZZGGDCGLTJQHTA-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 = 3376 nM
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