COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL009093
Chemical Name: 3,6,6-trimethyl-1-[(4-methylphenyl)sulfonyl]-1,5,6,7-tetrahydro-4H-indazol-4-one
Smiles: Cc1ccc(cc1)S(=O)(=O)n1nc(c2c1CC(C)(C)CC2=O)C

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Molecular Weight: 332.42
Empirical Formula: C17H20N2O3S

Physical State: Dry powder
Available Amount: 456 mg

Lipinsky:
logP: 3.862
Rotatable bonds: 0
H-donors: 0
H-acceptors: 3
PSA: 77
Number of rings: 3

     

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