COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK600301
Chemical Name: (E)-[4,5-dioxo-1-(pyridinium-4-ylmethyl)-2-(thiophen-2-yl)pyrrolidin-3-ylidene]{4-[(3-methylbenzyl)oxy]phenyl}methanolate
Smiles: Cc1cccc(c1)COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)Cc1cc[nH+]cc1)/[O-]

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Molecular Weight: 496.59
Empirical Formula: C29H24N2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.136
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 112
Number of rings: 5

     

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