COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK861523
Chemical Name: 3-methyl-N-[2,2,2-trichloro-1-(4-{(Z)-[3-(furan-2-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)ethyl]butanamide
Smiles: CC(CC(=O)NC(C(Cl)(Cl)Cl)Oc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)Cc1ccco1)C

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Molecular Weight: 547.91
Empirical Formula: C22H21Cl3N2O4S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.172
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 129
Number of rings: 3

     

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