COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK703305
Chemical Name: (5Z)-2-(4-tert-butylphenyl)-5-({3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Smiles: CC(CCOc1ccc(cc1C)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1ccc(cc1)C(C)(C)C)c1ccccc1)C

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Molecular Weight: 603.79
Empirical Formula: C36H37N5O2S

Physical State: Dry powder
Available Amount: 399 mg

Lipinsky:
logP: 11.032
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 100
Number of rings: 6

     

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