C17 H21 F6 N5 O
A1JC7
2-azanyl-6-[[(1~{R},3~{S})-1-(2-azanylethyl)-3-(trifluoromethyl)cyclohexyl]methyl]-4-(trifluoromethyl)-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
2-azanyl-6-[[(1~{R},3~{S})-1-(2-azanylethyl)-3-(trifluoromet...Show more
Formula
Standard InChI
InChI=1S/C17H21F6N5O/c18-16(19,20)9-2-1-3-15(6-9,4-5-24)8-28-7-10-11(13(28)29)12(17(21,22)23)27-14(25)26-10/h9H,1-8,24H2...Show more
Standard InChI Key
CQDVMQCYMYKHGL-VFZGTOFNSA-N
SMILES
C1C[C@@H](C[C@](C1)(CCN)CN2Cc3c(c(nc(n3)N)C(F)(F)F)C2=O)C(F)...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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