COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056068
Chemical Name: (E)-{2-[4-(dimethylamino)phenyl]-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-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)CCCn1c[nH+]cc1)/[O-]

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Molecular Weight: 550.66
Empirical Formula: C33H34N4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.325
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 91
Number of rings: 5

     

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