COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK362073
Chemical Name: 4-{(1E)-2-cyano-3-[(3,5-dichlorophenyl)amino]-3-oxoprop-1-en-1-yl}phenyl4-nitrobenzenesulfonate
Smiles: N#C/C(=C\c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])/C(=O)Nc1cc(Cl)cc(c1)Cl

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Molecular Weight: 518.33
Empirical Formula: C22H13Cl2N3O6S

Physical State: Dry powder
Available Amount: 204 mg

Lipinsky:
logP: 6.257
Rotatable bonds: 2
H-donors: 1
H-acceptors: 6
PSA: 150
Number of rings: 3

     

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