COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK317621
Chemical Name: 4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]benzamide
Smiles: S=C(Nc1c(C)cc(cc1[N+](=O)[O-])C)NC(=O)c1ccc(cc1)Cn1ncc(c1)Br

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Molecular Weight: 488.36
Empirical Formula: C20H18BrN5O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.67
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 136
Number of rings: 3

     

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