COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK685806
Chemical Name: 2-amino-1-(4-methoxyphenyl)-7,7-dimethyl-4-(4-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}thiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: COc1ccc(cc1)N1C(=C(C#N)C(C2=C1CC(C)(C)CC2=O)c1scc(c1)CSc1nnnn1C)N

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Molecular Weight: 533.68
Empirical Formula: C26H27N7O2S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.724
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 176
Number of rings: 5

     

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