COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK780730
Chemical Name: 4-(1,3-benzodioxol-5-yl)-1-(2,6-difluorophenyl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(n2cccc2)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C)c1c(F)cccc1F

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Molecular Weight: 499.52
Empirical Formula: C29H23F2N3O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.451
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 67
Number of rings: 6

     

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