COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147965
Chemical Name: (E)-[4-(benzyloxy)-2-methylphenyl][4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-4-yl)pyrrolidin-3-ylidene]methanolate
Smiles: Cc1cc(OCc2ccccc2)ccc1/C(=C\1/C(c2ccncc2)N(C(=O)C1=O)Cc1ccc[nH+]c1)/[O-]

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Molecular Weight: 491.55
Empirical Formula: C30H25N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.965
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 96
Number of rings: 5

     

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