COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK554639
Chemical Name: 4-{(1E)-2-(acetylamino)-3-[(furan-2-ylmethyl)amino]-3-oxoprop-1-en-1-yl}phenyl4-methylbenzenesulfonate
Smiles: CC(=O)N/C(=C/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)/C(=O)NCc1ccco1

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Molecular Weight: 454.5
Empirical Formula: C23H22N2O6S

Physical State: Dry powder
Available Amount: 238 mg

Lipinsky:
logP: 3.371
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 123
Number of rings: 3

     

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