COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK844873
Chemical Name: 4-{(1E)-2-(acetylamino)-3-[(2-hydroxyethyl)amino]-3-oxoprop-1-en-1-yl}phenyl4-methylbenzenesulfonate
Smiles: OCCNC(=O)/C(=C\c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)/NC(=O)C

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Molecular Weight: 418.47
Empirical Formula: C20H22N2O6S

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 1.587
Rotatable bonds: 5
H-donors: 3
H-acceptors: 6
PSA: 130
Number of rings: 2

     

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