COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL325725
Chemical Name: 3-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-1-methylpyridinium
Smiles: N#CC1=C(N)OC2=C(C1c1ccc[n+](c1)C)C(=O)CC(C2)(C)C

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Saltdata: I-
Molecular Weight: 310.38
Empirical Formula: C18H20N3O2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: -3.428
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 79
Number of rings: 3

     

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