COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK294952
Chemical Name: ethyl4-[({[3-nitro-4-(pyrrolidin-1-yl)phenyl]carbonyl}carbamothioyl)amino]benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCCC1

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Molecular Weight: 442.5
Empirical Formula: C21H22N4O5S

Physical State: Dry powder
Available Amount: 266 mg

Lipinsky:
logP: 5.065
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 148
Number of rings: 3

     

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