COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK386224
Chemical Name: 2-{(E)-[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl][2-methyl-4-oxo-5-(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]methyl}benzenesulfonicacid
Smiles: CC1=CC(=O)C(=C/C/1=C(\c1ccccc1S(=O)(=O)O)/c1cc(C(C)C)c(cc1C)O)C(C)C

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Molecular Weight: 466.6
Empirical Formula: C27H30O5S

Physical State: Dry powder
Available Amount: 3004 mg

Lipinsky:
logP: 5.798
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 100
Number of rings: 3

     

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