COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK383436
Chemical Name: (2Z,5Z)-2-({4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}imino)-3-cyclohexyl-5-(5-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-1,3-thiazolidin-4-one
Smiles: CCC(c1cc(ccc1OCCCC/N=C/1\S/C(=c/2\sc3c(n2C)cc(cc3)OC)/C(=O)N1C1CCCCC1)C(CC)(C)C)(C)C

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Molecular Weight: 663.99
Empirical Formula: C38H53N3O3S2

Physical State: Dry powder
Available Amount: 363 mg

Lipinsky:
logP: 8.389
Rotatable bonds: 12
H-donors: 0
H-acceptors: 3
PSA: 104
Number of rings: 5

     

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