COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK173920
Chemical Name: (2E)-3-(4-chlorophenyl)-N-{[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl}prop-2-enamide
Smiles: O=C(NC(=S)Nc1scc(n1)c1cccc(c1)[N+](=O)[O-])/C=C/c1ccc(cc1)Cl

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Molecular Weight: 444.92
Empirical Formula: C19H13ClN4O3S2

Physical State: Dry powder
Available Amount: 109 mg

Lipinsky:
logP: 4.776
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 160
Number of rings: 3

     

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