COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039472
Chemical Name: (E)-[2-(3-bromophenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene][4-(propan-2-yloxy)phenyl]methanolate
Smiles: CC(Oc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Br)c1cccc[nH+]1)/[O-])C

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Molecular Weight: 493.36
Empirical Formula: C25H21BrN2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.912
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 83
Number of rings: 4

     

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