COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK174178
Chemical Name: (2E)-N-{[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl}-3-[4-(propan-2-yl)phenyl]prop-2-enamide
Smiles: COc1ccc(cc1Br)c1csc(n1)NC(=S)NC(=O)/C=C/c1ccc(cc1)C(C)C

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Molecular Weight: 516.48
Empirical Formula: C23H22BrN3O2S2

Physical State: Dry powder
Available Amount: 448 mg

Lipinsky:
logP: 6.353
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 123
Number of rings: 3

     

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