COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL174863
Chemical Name: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3,5-dichlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(c2cc(Cl)cc(c2)Cl)C2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1ccccc1

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Molecular Weight: 530.41
Empirical Formula: C29H21Cl2N3O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.25
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 88
Number of rings: 6

     

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