COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150119
Chemical Name: (E)-{2-(3-chlorophenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Cl)CC[NH+]1CCOCC1)/[O-]

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Molecular Weight: 482.96
Empirical Formula: C26H27ClN2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.948
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 5

     

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