COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL462476
Chemical Name: 3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-ylN-[(4-methylphenyl)sulfonyl]-L-isoleucinate
Smiles: CC[C@H]([C@@H](C(=O)Oc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)C)C

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Molecular Weight: 547.67
Empirical Formula: C31H33NO6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.635
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 107
Number of rings: 4

     

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