COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK779793
Chemical Name: 2-[2,5-dioxo-4-(2,4,5-trimethoxyphenyl)-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Smiles: COc1cc(OC)c(cc1C1CC(=O)N(C2=C1C(=O)CCC2)c1sc2c(c1C#N)CCCCC2)OC

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Molecular Weight: 506.62
Empirical Formula: C28H30N2O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.025
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 117
Number of rings: 5

     

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