COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526746
Chemical Name: methyl(5Z)-5-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methylidene)-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
Smiles: COC(=O)C1C(=O)/C(=C\NCCc2ccc(c(c2)OC)OC)/C(=O)CC1(C)C

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Molecular Weight: 389.45
Empirical Formula: C21H27NO6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.489
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 90
Number of rings: 2

     

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