COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK800493
Chemical Name: 4-{[4-(azepan-1-ylsulfonyl)phenyl]carbonyl}-3-hydroxy-1-(3-methoxypropyl)-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: COCCCN1C(c2cccc(c2)[N+](=O)[O-])C(=C(C1=O)O)C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCCC1

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Molecular Weight: 557.62
Empirical Formula: C27H31N3O8S

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 3.814
Rotatable bonds: 7
H-donors: 1
H-acceptors: 8
PSA: 158
Number of rings: 4

     

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