COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK568216
Chemical Name: (E)-{2-[4-(dimethylamino)phenyl]-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}{4-[(2-methylbenzyl)oxy]phenyl}methanolate
Smiles: CN(c1ccc(cc1)C1/C(=C(/c2ccc(cc2)OCc2ccccc2C)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1)C

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Molecular Weight: 533.63
Empirical Formula: C33H31N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.567
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 87
Number of rings: 5

     

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