COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK570497
Chemical Name: 4-[(Z)-{2-[4-(3-chlorophenyl)piperazin-4-ium-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]-2-ethoxyphenolate
Smiles: CCOc1cc(ccc1[O-])/C=C/1\SC(=NC1=O)N1CC[NH+](CC1)c1cccc(c1)Cl

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Molecular Weight: 443.95
Empirical Formula: C22H22ClN3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.864
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 94
Number of rings: 4

     

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