COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565586
Chemical Name: (E)-[3-methyl-4-(2-methylpropoxy)phenyl][2-(4-methylphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: CC(COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)Cc1ccc[nH+]c1)/[O-])C

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Molecular Weight: 470.57
Empirical Formula: C29H30N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.672
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 83
Number of rings: 4

     

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