COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK685987
Chemical Name: 2-amino-7,7-dimethyl-4-(4-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}thiophen-2-yl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(c2cccc(c2)[N+](=O)[O-])C2=C(C1c1scc(c1)CSc1nnnn1C)C(=O)CC(C2)(C)C

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Molecular Weight: 548.65
Empirical Formula: C25H24N8O3S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.374
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 213
Number of rings: 5

     

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