COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK317786
Chemical Name: 4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide
Smiles: S=C(Nc1cc(cc(c1O)Cl)[N+](=O)[O-])NC(=O)c1ccc(cc1)Cn1ncc(c1)Br

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Molecular Weight: 510.76
Empirical Formula: C18H13BrClN5O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.968
Rotatable bonds: 2
H-donors: 3
H-acceptors: 4
PSA: 157
Number of rings: 3

     

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