COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK020168
Chemical Name: 2-{[(7E)-7-(4-ethoxybenzylidene)-3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]carbonyl}benzoicacid
Smiles: CCOc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)OCC)C(=O)c1ccccc1C(=O)O

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Molecular Weight: 524.62
Empirical Formula: C32H32N2O5

Physical State: Dry powder
Available Amount: 295 mg

Lipinsky:
logP: 5.507
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 88
Number of rings: 5

     

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