COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK098992
Chemical Name: (5E)-5-[4-(dimethylamino)benzylidene]-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: OCCN1C(=O)/C(=C/c2ccc(cc2)N(C)C)/C(=C(C1=O)C#N)C

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Saltdata: HCI
Molecular Weight: 325.37
Empirical Formula: C18H19N3O3

Physical State: Dry powder
Available Amount: 213 mg

Lipinsky:
logP: 2.015
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 84
Number of rings: 2

     

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