COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK755471
Chemical Name: 2-amino-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: COc1ccc(cc1)N1C(=C(C#N)C(C2=C1CC(C)(C)CC2=O)c1cc(OC)c(c(c1)OC)OC)N

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Molecular Weight: 489.57
Empirical Formula: C28H31N3O5

Physical State: Dry powder
Available Amount: 42 mg

Lipinsky:
logP: 3.073
Rotatable bonds: 2
H-donors: 2
H-acceptors: 5
PSA: 107
Number of rings: 4

     

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