COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL433525
Chemical Name: 2-amino-4-(5-bromothiophen-2-yl)-1-(2-chloropyridin-3-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(C2=C(C1c1ccc(s1)Br)C(=O)CC(C2)(C)C)c1cccnc1Cl

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Molecular Weight: 489.82
Empirical Formula: C21H18BrClN4OS

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.263
Rotatable bonds: 1
H-donors: 2
H-acceptors: 1
PSA: 111
Number of rings: 4

     

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