COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL032392
Chemical Name: (2E)-2-cyano-3-[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide
Smiles: N#C/C(=C\c1cc(n(c1C)c1ccc(cc1)[N+](=O)[O-])C)/C(=O)NCc1cccs1

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Molecular Weight: 406.47
Empirical Formula: C21H18N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.288
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 131
Number of rings: 3

     

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