C29 H32 F3 N5 O3
LB8
~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-buta...Show more
Formula
Standard InChI
InChI=1S/C29H32F3N5O3/c1-18-12-14-20(27(39)35-23(26(33)38)15-13-19-8-4-2-5-9-19)16-24(18)36-28(40)22-17-34-37(25(22)29(3...Show more
Standard InChI Key
ARAZWGAZTSHNHP-QHCPKHFHSA-N
SMILES
Cc1ccc(cc1NC(=O)c2cnn(c2C(F)(F)F)c3ccccc3)C(=O)N[C@@H](CCC4C...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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