COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK800501
Chemical Name: 4-{[4-(azepan-1-ylsulfonyl)phenyl]carbonyl}-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: COCCCN1C(c2ccc(c(c2)OCC)O)C(=C(C1=O)O)C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCCC1

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Molecular Weight: 572.68
Empirical Formula: C29H36N2O8S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 3.584
Rotatable bonds: 10
H-donors: 2
H-acceptors: 8
PSA: 142
Number of rings: 4

     

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