COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL524505
Chemical Name: methyl3-butanoyl-4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate
Smiles: CCCC(=O)C1=C(NCCc2ccc(c(c2)OC)OC)CC(C(C1=O)C(=O)OC)(C)C

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Molecular Weight: 431.53
Empirical Formula: C24H33NO6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.963
Rotatable bonds: 10
H-donors: 1
H-acceptors: 6
PSA: 90
Number of rings: 2

     

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