COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057774
Chemical Name: (E)-{2-[4-(dimethylamino)phenyl]-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene}{4-[(3-methylbenzyl)oxy]phenyl}methanolate
Smiles: Cc1cccc(c1)COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)N(C)C)Cc1cc[nH+]cc1)/[O-]

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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: 3
H-donors: 1
H-acceptors: 4
PSA: 87
Number of rings: 5

     

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