COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK694229
Chemical Name: (3E,5E)-3,5-bis[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methylidene]-1-ethylpiperidin-4-one
Smiles: CCN1C/C(=C\c2cc(OC)c3c(c2OC)OCO3)/C(=O)/C(=C/c2cc(OC)c3c(c2OC)OCO3)/C1

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Molecular Weight: 511.53
Empirical Formula: C27H29NO9

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.24
Rotatable bonds: 6
H-donors: 0
H-acceptors: 9
PSA: 94
Number of rings: 5

     

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