COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK379135
Chemical Name: 4-{(1Z)-3-[(4-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-iodo-6-methoxyphenyl4-methylbenzenesulfonate
Smiles: N#C/C(=C/c1cc(I)c(c(c1)OC)OS(=O)(=O)c1ccc(cc1)C)/C(=O)Nc1ccc(cc1)Br

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Molecular Weight: 653.29
Empirical Formula: C24H18BrIN2O5S

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 6.253
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 113
Number of rings: 3

     

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