COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK534390
Chemical Name: (5E)-2-(azepan-1-yl)-5-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-1,3-thiazol-4(5H)-one
Smiles: CC(CCOc1ccc(cc1)c1nn(cc1/C=C\1/SC(=NC1=O)N1CCCCCC1)c1ccccc1)C

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Molecular Weight: 514.69
Empirical Formula: C30H34N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.328
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 85
Number of rings: 5

     

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