COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK821357
Chemical Name: 11-[(5Z)-5-{[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecanoicacid
Smiles: COc1ccc(cc1Br)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCCCCCCCCCC(=O)O)c1ccccc1

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Molecular Weight: 656.66
Empirical Formula: C31H34BrN3O4S2

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 7.427
Rotatable bonds: 15
H-donors: 1
H-acceptors: 4
PSA: 142
Number of rings: 4

     

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