COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK238473
Chemical Name: 3-(1,3-benzodioxol-5-ylamino)-5,5-dimethylcyclohex-2-en-1-one
Smiles: O=C1C=C(Nc2ccc3c(c2)OCO3)CC(C1)(C)C

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Molecular Weight: 259.3
Empirical Formula: C15H17NO3

Physical State: Dry powder
Available Amount: 62 mg

Lipinsky:
logP: 2.789
Rotatable bonds: 0
H-donors: 1
H-acceptors: 3
PSA: 47
Number of rings: 3

     

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