COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL440318
Chemical Name: 2-[2-(difluoromethyl)-9,10-dimethoxy-6,6-dimethyl-6,7-dihydropyrido[2,1-a]isoquinolinium-4-yl]-4-nitrophenolate
Smiles: COc1cc2CC(C)(C)[n+]3c(c2cc1OC)cc(cc3c1cc(ccc1[O-])[N+](=O)[O-])C(F)F

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Molecular Weight: 456.45
Empirical Formula: C24H22F2N2O5

Physical State: Dry powder
Available Amount: 35 mg

Lipinsky:
logP: -1.27
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 91
Number of rings: 4

     

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