COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565398
Chemical Name: (E)-(3-chloro-4-methoxyphenyl){1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(o1)C)CCCn1c[nH+]cc1)/[O-]

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Molecular Weight: 455.9
Empirical Formula: C23H22ClN3O5

Physical State: Dry powder
Available Amount: 116 mg

Lipinsky:
logP: 3.277
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 101
Number of rings: 4

     

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