General Information of the Compound
| Compound ID |
CP0259404
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| Compound Name |
4-amino-N-[6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
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| Structure |
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| Formula |
C16H14ClF2N5O3S2
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| Molecular Weight |
461.903
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| Canonical SMILES |
Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)CCCF)c1F
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| InChI |
InChI=1S/C16H14ClF2N5O3S2/c17-9-2-3-10(24-29(26,27)5-1-4-18)11(19)13(9)23-16(25)8-6-28-14-12(8)21-7-22-15(14)20/h2-3,6-7,24H,1,4-5H2,(H,23,25)(H2,20,21,22)
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| InChIKey |
DFIVZWWMRMZVLA-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: PT01381, Serine/threonine-protein kinase B-raf
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000365 | NCI-H226 | Homo sapiens (Human) | 1 |
| 1 |
EC50 > 10000 nM
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