COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK076515
Chemical Name: (2E,6E)-4-tert-butyl-2,6-bis(3,4-dimethoxybenzylidene)cyclohexanone
Smiles: COc1cc(ccc1OC)/C=C/1\CC(C/C(=C\c2ccc(c(c2)OC)OC)/C1=O)C(C)(C)C

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Molecular Weight: 450.57
Empirical Formula: C28H34O5

Physical State: Dry powder
Available Amount: 420 mg

Lipinsky:
logP: 7.389
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 53
Number of rings: 3

     

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