COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045008
Chemical Name: (E)-[4-(benzyloxy)-2-methylphenyl][2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: Cc1cc(OCc2ccccc2)ccc1/C(=C\1/C(c2ccc(cc2)C(C)(C)C)N(C(=O)C1=O)Cc1ccc[nH+]c1)/[O-]

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Molecular Weight: 546.67
Empirical Formula: C35H34N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.146
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 83
Number of rings: 5

     

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