COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK373713
Chemical Name: 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(C)NC2=C(C1c1cc(Cl)c(c(c1)OC)O)C(=O)CC(C2)(C)C

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Molecular Weight: 372.85
Empirical Formula: C20H21ClN2O3

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 2.579
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 82
Number of rings: 3

     

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