COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL384360
Chemical Name: 2-({(E)-[3-chloro-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}amino)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Smiles: C#CCOc1c(Cl)cc(cc1OCC)/C=N/N1C(=O)C2C(C1=O)C1CC2C=C1

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Molecular Weight: 398.85
Empirical Formula: C21H19ClN2O4

Physical State: Dry powder
Available Amount: 96 mg

Lipinsky:
logP: 3.14
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 68
Number of rings: 4

     

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