General Information of the Compound
| Compound ID |
CP0065286
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| Compound Name |
AVL-301
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| Synonyms |
1374640-70-6
72AH61702G
AOB87314
AVL-301
BCP07085
BDBM149404
C27H28F3N7O3
CHEMBL3545308
CNX-419
CO 1686
CO-1686
CO-1686 (AVL-301)
CO1686
EX-A228
GTPL7966
HMS3653G08
MolPort-035-395-816
N-(3-((2-((4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)acrylamide
Rociletinib (CO-1686)
Rociletinib (CO-1686, AVL-301)
Rociletinib (USAN/INN)
Rociletinib [USAN:INN]
Rociletinib(AVL-301,CNX-419,CO-1686)
SCHEMBL4177736
Tube721
UNII-72AH61702G
ZINC98043800
s7284
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| Structure |
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| Formula |
C27H28F3N7O3
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| Molecular Weight |
555.561
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
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| InChI |
InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)
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| InChIKey |
HUFOZJXAKZVRNJ-UHFFFAOYSA-N
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| CAS |
1374640-70-6
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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: PT00922, Epidermal growth factor receptor
Cell-based Assay
Protein ID: PT01101, Insulin receptor
Protein ID: PT01104, Insulin-like growth factor 1 receptor
Protein ID: PT01068, Receptor tyrosine-protein kinase erbB-3
Cell Viability or Cytotoxicity Assay
Clinical Information about the Compound