COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK600357
Chemical Name: (3S)-N-{(1R)-2-[(4-ethylphenyl)amino]-2-oxo-1-phenylethyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: CCc1ccc(cc1)NC(=O)[C@@H](c1ccccc1)NC(=O)[C@H]1NCc2c(C1)cccc2

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Saltdata: HCl
Molecular Weight: 413.52
Empirical Formula: C26H27N3O2

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 3.919
Rotatable bonds: 2
H-donors: 3
H-acceptors: 2
PSA: 70
Number of rings: 4

     

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