COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL173024
Chemical Name: 2-amino-1-(4-bromo-2-fluorophenyl)-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(C2=C(C1c1ccc(c(c1)CN1CCCC1)OC)C(=O)CC(C2)(C)C)c1ccc(cc1F)Br

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Molecular Weight: 579.51
Empirical Formula: C30H32BrFN4O2

Physical State: Dry powder
Available Amount: 25 mg

Lipinsky:
logP: 4.256
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 82
Number of rings: 5

     

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