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iGMDRD417

Canonical SMILES: CN1CC2CC(CC2C1)COC3=C(C=C4C(=C3)N=CN=C4NC5=C(C(=C(C=C5)Cl)Cl)F)OC

InChI: InChI=1S/C24H25Cl2FN4O2/c1-31-9-14-5-13(6-15(14)10-31)11-33-21-8-19-16(7-20(21)32-2)24(29-12-28-19)30-18-4-3-17(25)22(26)23(18)27/h3-4,7-8,12-15H,5-6,9-11H2,1-2H3,(H,28,29,30)/t13?,14-,15+

InChI Key: HVXKQKFEHMGHSL-GOOCMWNKSA-N

Standard Name	CHEMBL	Pubchem CID	DRUGBANK ID	Drug Status	Drug Type
XL-647	CHEMBL3544983	10458300	DB11973	Alone	Small Molecule

Drug Class:

Aza Compounds Bicyclo Compounds Bicyclo Compounds, Heterocyclic Bridged Compounds Heterocyclic Compounds Heterocyclic Compounds, 2-Ring Heterocyclic Compounds, Bridged-Ring Hydrocarbons Hydrocarbons, Cyclic Polycyclic Compounds Receptor, EphB4, antagonists & inhibitors Receptor, Epidermal Growth Factor, antagonists & inhibitors Receptor, ErbB-2, antagonists & inhibitors Vascular Endothelial Growth Factor Receptor-2, antagonists & inhibitors

Drug Targets:

EGF (P01133)EPHB4 (P54760)ERBB2 (P04626)

Drug-model tissue-cancer distribution: Bubble Plot

Drug-gene pathway enrichments

Drug-gene GO enrichments

Drug-Gene: Aster Plot

Gene ID	Gene Name	Model Num.
1956	EGFR	1

Gene in drug-gene network: Network Plot

Models in XL-647

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DATATYPES

CLASSFICATION

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