COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148859
Chemical Name: (E)-[2-(3-hydroxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][4-(propan-2-yloxy)phenyl]methanolate
Smiles: CC(Oc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)O)Cc1ccc[nH+]c1)/[O-])C

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Molecular Weight: 444.49
Empirical Formula: C26H24N2O5

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 3.485
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 104
Number of rings: 4

     

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