COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK383028
Chemical Name: methyl7-{[(2E,5Z)-3-ethyl-5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}heptanoate
Smiles: COC(=O)CCCCCC/N=C\1/S/C(=c/2\sc3c(n2CC)cccc3)/C(=O)N1CC

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Molecular Weight: 447.62
Empirical Formula: C22H29N3O3S2

Physical State: Dry powder
Available Amount: 326 mg

Lipinsky:
logP: 1.951
Rotatable bonds: 10
H-donors: 0
H-acceptors: 3
PSA: 112
Number of rings: 3

     

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