COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK209389
Chemical Name: (2E)-3-(4-chloro-3-nitrophenyl)-N-{[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl}prop-2-enamide
Smiles: COc1cc(ccc1OC)c1csc(n1)NC(=S)NC(=O)/C=C/c1ccc(c(c1)[N+](=O)[O-])Cl

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Molecular Weight: 504.97
Empirical Formula: C21H17ClN4O5S2

Physical State: Dry powder
Available Amount: 489 mg

Lipinsky:
logP: 4.426
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 178
Number of rings: 3

     

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