COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK549866
Chemical Name: 3-[(1,3-benzodioxol-5-ylmethyl)amino]-5-(4-methoxyphenyl)cyclohex-2-en-1-one
Smiles: COc1ccc(cc1)C1CC(=CC(=O)C1)NCc1ccc2c(c1)OCO2

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Molecular Weight: 351.4
Empirical Formula: C21H21NO4

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 3.477
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 56
Number of rings: 4

     

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