COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK381532
Chemical Name: (2E,5Z)-2-({4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}imino)-5-(5-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
Smiles: CCC(c1cc(ccc1OCCCC/N=C\1/S/C(=c/2\sc3c(n2C)cc(cc3)Cl)/C(=O)N1CCc1ccccc1)C(CC)(C)C)(C)C

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Molecular Weight: 690.41
Empirical Formula: C39H48ClN3O2S2

Physical State: Dry powder
Available Amount: 582 mg

Lipinsky:
logP: 9.202
Rotatable bonds: 12
H-donors: 0
H-acceptors: 2
PSA: 95
Number of rings: 5

     

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