COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK385636
Chemical Name: 2-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]phenylbenzenesulfonate
Smiles: N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccccc1)/C(=O)NCc1ccccc1

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Molecular Weight: 418.47
Empirical Formula: C23H18N2O4S

Physical State: Dry powder
Available Amount: 207 mg

Lipinsky:
logP: 3.939
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 104
Number of rings: 3

     

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