COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK780121
Chemical Name: 2-[4-(2,5-dimethoxyphenyl)-7,7-dimethyl-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: COc1ccc(c(c1)C1CC(=O)N(C2=C1C(=O)CC(C2)(C)C)c1sc2c(c1C#N)CCCC2)OC

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Molecular Weight: 490.62
Empirical Formula: C28H30N2O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.792
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 107
Number of rings: 5

     

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