COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK383176
Chemical Name: (2Z,5Z)-2-({4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}imino)-3-ethyl-5-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-1,3-thiazolidin-4-one
Smiles: CCN1/C(=N/CCCCOc2ccc(cc2C(CC)(C)C)C(CC)(C)C)/S/C(=c/2\sc3c(n2C)cccc3)/C1=O

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Molecular Weight: 579.87
Empirical Formula: C33H45N3O2S2

Physical State: Dry powder
Available Amount: 462 mg

Lipinsky:
logP: 6.946
Rotatable bonds: 11
H-donors: 0
H-acceptors: 2
PSA: 95
Number of rings: 4

     

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