COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK761063
Chemical Name: 8-amino-5-(4-ethoxyphenyl)-2,2-dimethyl-4-oxo-1,3,4,5,10,11,12,13-octahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
Smiles: CCOc1ccc(cc1)C1C2=C(CC(CC2=O)(C)C)n2c(=C1C#N)nc(c1c2sc2c1CCCCC2)N

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Molecular Weight: 512.68
Empirical Formula: C30H32N4O2S

Physical State: Dry powder
Available Amount: 46 mg

Lipinsky:
logP: 5.583
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 119
Number of rings: 6

     

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