COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK554663
Chemical Name: 4-[(1E)-2-(acetylamino)-3-(butylamino)-3-oxoprop-1-en-1-yl]phenyl4-methylbenzenesulfonate
Smiles: CCCCNC(=O)/C(=C\c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)/NC(=O)C

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Molecular Weight: 430.52
Empirical Formula: C22H26N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.808
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 109
Number of rings: 2

     

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