COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL357509
Chemical Name: 3-[(1,3-benzodioxol-5-ylmethyl)amino]-5,5-dimethylcyclohex-2-en-1-one
Smiles: O=C1C=C(NCc2ccc3c(c2)OCO3)CC(C1)(C)C

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Molecular Weight: 273.33
Empirical Formula: C16H19NO3

Physical State: Dry powder
Available Amount: 169 mg

Lipinsky:
logP: 2.929
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 47
Number of rings: 3

     

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