COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037030
Chemical Name: (E)-[1-(6-methylpyridinium-2-yl)-4,5-dioxo-2-(3-phenoxyphenyl)pyrrolidin-3-ylidene](thiophen-2-yl)methanolate
Smiles: Cc1cccc([nH+]1)N1C(=O)C(=O)/C(=C(\c2cccs2)/[O-])/C1c1cccc(c1)Oc1ccccc1

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Molecular Weight: 468.53
Empirical Formula: C27H20N2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.584
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 112
Number of rings: 5

     

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