COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK687584
Chemical Name: 8-amino-5-[4-(methylsulfanyl)phenyl]-4-oxo-1,3,4,5,10,11-hexahydro-2H,9H-9,12-ethanopyrido[3'',2'':4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
Smiles: CSc1ccc(cc1)C1C2=C(CCCC2=O)n2c(=C1C#N)nc(c1c2sc2c1C1CCN2CC1)N

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Molecular Weight: 499.66
Empirical Formula: C27H25N5OS2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.144
Rotatable bonds: 0
H-donors: 2
H-acceptors: 1
PSA: 139
Number of rings: 8

     

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