COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK674846
Chemical Name: ethyl2-[2-amino-3-cyano-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(sc2c1CCCCC2)N1C(=C(C#N)C(C2=C1CC(C)(C)CC2=O)c1cccc(c1)[N+](=O)[O-])N

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Molecular Weight: 560.67
Empirical Formula: C30H32N4O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.686
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 170
Number of rings: 5

     

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