COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK094919
Chemical Name: (2E)-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide
Smiles: O=C(NC(=S)Nc1ccc(c(c1)[N+](=O)[O-])Cl)/C=C/c1ccc(cc1)Cl

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Molecular Weight: 396.25
Empirical Formula: C16H11Cl2N3O3S

Physical State: Dry powder
Available Amount: 411 mg

Lipinsky:
logP: 5.489
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 119
Number of rings: 2

     

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