COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL174870
Chemical Name: 2-amino-4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-1-(4-chloro-2-nitrophenyl)-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)COc1ccc(cc1)Br)OC)C(=O)CC(C2)(C)C)c1ccc(cc1[N+](=O)[O-])Cl

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Molecular Weight: 663.95
Empirical Formula: C32H28BrClN4O5

Physical State: Dry powder
Available Amount: 42 mg

Lipinsky:
logP: 6.492
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 134
Number of rings: 5

     

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