COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK614766
Chemical Name: ethyl3-({[(3aS,6R,7aR)-2-(4-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindol-7-yl]carbonyl}amino)benzoate
Smiles: CCOC(=O)c1cccc(c1)NC(=O)C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)c1ccc(cc1)OC)O2

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Molecular Weight: 448.48
Empirical Formula: C25H24N2O6

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 3.598
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 94
Number of rings: 5

     

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