COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051551
Chemical Name: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-[4-(dimethylamino)phenyl]-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: O=C1C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/[O-])/C(N1CC[NH+]1CCOCC1)c1ccc(cc1)N(C)C

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Molecular Weight: 493.56
Empirical Formula: C27H31N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.774
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 95
Number of rings: 5

     

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