COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL536688
Chemical Name: ethyl3-({[(6aS,8S,10aR)-4-(furan-2-yl)-1-methyl-2,6-dioxo-1,3,4,6,6a,7,8,10b-octahydro-2H-8,10a-epoxypyrido[2,1-a]isoindol-7-yl]carbonyl}amino)benzoate
Smiles: CCOC(=O)c1cccc(c1)NC(=O)C1[C@H]2C=C[C@]3([C@H]1C(=O)N1C3C(C)C(=O)CC1c1ccco1)O2

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Molecular Weight: 490.51
Empirical Formula: C27H26N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.215
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 115
Number of rings: 6

     

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