COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK694352
Chemical Name: (3E,5E)-3,5-bis[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methylidene]-1-(propan-2-yl)piperidin-4-one
Smiles: COc1c(/C=C/2\CN(C/C(=C\c3cc(OC)c4c(c3OC)OCO4)/C2=O)C(C)C)cc(c2c1OCO2)OC

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Molecular Weight: 525.56
Empirical Formula: C28H31NO9

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.588
Rotatable bonds: 6
H-donors: 0
H-acceptors: 9
PSA: 94
Number of rings: 5

     

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