COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK795466
Chemical Name: (2E,6E)-2,6-bis(1,3-benzodioxol-5-ylmethylidene)-4-(2-methylbutan-2-yl)cyclohexanone
Smiles: CCC(C1C/C(=C\c2ccc3c(c2)OCO3)/C(=O)/C(=C/c2ccc3c(c2)OCO3)/C1)(C)C

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Molecular Weight: 432.52
Empirical Formula: C27H28O5

Physical State: Dry powder
Available Amount: 21 mg

Lipinsky:
logP: 8.509
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 53
Number of rings: 5

     

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