COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK379311
Chemical Name: 3-{(1E)-2-cyano-3-[(4-methylphenyl)amino]-3-oxoprop-1-en-1-yl}phenylnaphthalene-2-sulfonate
Smiles: N#C/C(=C\c1cccc(c1)OS(=O)(=O)c1ccc2c(c1)cccc2)/C(=O)Nc1ccc(cc1)C

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Molecular Weight: 468.53
Empirical Formula: C27H20N2O4S

Physical State: Dry powder
Available Amount: 171 mg

Lipinsky:
logP: 5.917
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 104
Number of rings: 4

     

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