COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL367463
Chemical Name: (2E)-2-cyano-3-{2,5-dimethyl-1-[4-(4-nitrophenoxy)phenyl]-1H-pyrrol-3-yl}prop-2-enamide
Smiles: N#C/C(=C\c1cc(n(c1C)c1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-])C)/C(=O)N

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Molecular Weight: 402.41
Empirical Formula: C22H18N4O4

Physical State: Dry powder
Available Amount: 926 mg

Lipinsky:
logP: 4.498
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 126
Number of rings: 3

     

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