COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564244
Chemical Name: (E)-(3-chloro-4-ethoxyphenyl){2-(3,4-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CCOc1ccc(cc1Cl)/C(=C\1/C(c2ccc(c(c2)OC)OC)N(C(=O)C1=O)CCCn1c[nH+]cc1)/[O-]

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Molecular Weight: 525.99
Empirical Formula: C27H28ClN3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.924
Rotatable bonds: 10
H-donors: 1
H-acceptors: 6
PSA: 107
Number of rings: 4

     

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