COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK390432
Chemical Name: 5-bromo-N-{[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]carbonothioyl}naphthalene-1-carboxamide
Smiles: S=C(N1CCN(CC1)c1ccc(cc1Cl)[N+](=O)[O-])NC(=O)c1cccc2c1cccc2Br

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Molecular Weight: 533.83
Empirical Formula: C22H18BrClN4O3S

Physical State: Dry powder
Available Amount: 387 mg

Lipinsky:
logP: 5.494
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 113
Number of rings: 4

     

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