COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK248201
Chemical Name: (2E)-3-(4-chloro-3-nitrophenyl)-N-{[2-(pyrrolidin-1-yl)phenyl]carbamothioyl}prop-2-enamide
Smiles: O=C(NC(=S)Nc1ccccc1N1CCCC1)/C=C/c1ccc(c(c1)[N+](=O)[O-])Cl

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Molecular Weight: 430.91
Empirical Formula: C20H19ClN4O3S

Physical State: Dry powder
Available Amount: 743 mg

Lipinsky:
logP: 4.21
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 122
Number of rings: 3

     

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