48B

2-chloro-N-[4-({5-fluoro-2-[(4-hydroxyphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzamide

Created:2009-04-15
Last modified:  2011-06-04

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count0
Bond Count52
Aromatic Bond Count24
2D diagram of 48B

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name2-chloro-N-[4-({5-fluoro-2-[(4-hydroxyphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzamide
Systematic Name (OpenEye OEToolkits)2-chloro-N-[4-[[5-fluoro-2-[(4-hydroxyphenyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide
FormulaC23 H17 Cl F N5 O2
Molecular Weight449.865
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1ccccc1C(=O)Nc2ccc(cc2)Nc3nc(ncc3F)Nc4ccc(O)cc4
SMILESCACTVS3.341Oc1ccc(Nc2ncc(F)c(Nc3ccc(NC(=O)c4ccccc4Cl)cc3)n2)cc1
SMILESOpenEye OEToolkits1.5.0c1ccc(c(c1)C(=O)Nc2ccc(cc2)Nc3c(cnc(n3)Nc4ccc(cc4)O)F)Cl
Canonical SMILESCACTVS3.341 Oc1ccc(Nc2ncc(F)c(Nc3ccc(NC(=O)c4ccccc4Cl)cc3)n2)cc1
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(c(c1)C(=O)Nc2ccc(cc2)Nc3c(cnc(n3)Nc4ccc(cc4)O)F)Cl
InChIInChI1.03 InChI=1S/C23H17ClFN5O2/c24-19-4-2-1-3-18(19)22(32)28-15-7-5-14(6-8-15)27-21-20(25)13-26-23(30-21)29-16-9-11-17(31)12-10-16/h1-13,31H,(H,28,32)(H2,26,27,29,30)
InChIKeyInChI1.03 ZYURNHOEBWWJHI-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL523991
PubChem 42628076
ChEMBL CHEMBL523991