COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040227
Chemical Name: (E)-{1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}[4-(morpholin-4-ylsulfonyl)phenyl]methanolate
Smiles: O=C1C(=O)/C(=C(\c2ccc(cc2)S(=O)(=O)N2CCOCC2)/[O-])/C(N1CC[NH+]1CCOCC1)c1cccs1

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Molecular Weight: 547.65
Empirical Formula: C25H29N3O7S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.435
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 157
Number of rings: 5

     

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