C31 H32 N6 O3 S
WB3
(2E)-3-[4-({2-[(1-{[4-(methanesulfonyl)phenyl]methyl}piperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl}oxy)-3,5-dimethylphenyl]prop-2-enenitrile
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(2E)-3-[4-({2-[(1-{[4-(methanesulfonyl)phenyl]methyl}piperid...Show more
Formula
Standard InChI
InChI=1S/C31H32N6O3S/c1-21-18-24(6-4-14-32)19-22(2)28(21)40-30-27-7-5-15-33-29(27)35-31(36-30)34-25-12-16-37(17-13-25)20...Show more
Standard InChI Key
GIPFCGYDMDLDIO-GQCTYLIASA-N
SMILES
Cc1cc(cc(c1Oc2c3cccnc3nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)C...Show more
Source OpenEye
First observed in
Overall view, and highlighted
scaffolds and fragments ![help icon]()
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
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