COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK674025
Chemical Name: ethyl2-amino-4-(4-bromothiophen-2-yl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCOC(=O)C1=C(N)N(C2=C(C1c1scc(c1)Br)C(=O)CC(C2)(C)C)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 546.44
Empirical Formula: C24H24BrN3O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.072
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 146
Number of rings: 4

     

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