COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL512918
Chemical Name: 2-(1H-indol-3-ylmethylidene)-5-(4-methoxyphenyl)cyclohexane-1,3-dione
Smiles: COc1ccc(cc1)C1CC(=O)/C(=C/c2c[nH]c3c2cccc3)/C(=O)C1

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Molecular Weight: 345.4
Empirical Formula: C22H19NO3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.28
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 59
Number of rings: 4

     

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