COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL174428
Chemical Name: 2-amino-1-(4-chlorophenyl)-4-{4-methoxy-3-[(2,4,6-tribromophenoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(c2ccc(cc2)Cl)C2=C(C1c1ccc(c(c1)COc1c(Br)cc(cc1Br)Br)OC)C(=O)CC(C2)(C)C

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Molecular Weight: 776.75
Empirical Formula: C32H27Br3ClN3O3

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 7.671
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 88
Number of rings: 5

     

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