C22 H29 Cl N4 O
EV6
(3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]pentanamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-[(1R,3S,5R,...Show more
Formula
Standard InChI
InChI=1S/C22H29ClN4O/c1-2-17(27-19-4-3-16(23)10-18(19)25-22(27)24)11-20(28)26-21-14-6-12-5-13(8-14)9-15(21)7-12/h3-4,10,...Show more
Standard InChI Key
KMAKOMVKNWTGPE-LIXZBVSLSA-N
SMILES
CC[C@@H](CC(=O)NC1C2CC3CC(C2)CC1C3)n4c5ccc(cc5nc4N)Cl
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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