COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL221994
Chemical Name: methyl(3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylate
Smiles: COC(=O)c1cccc2c1N[C@H]([C@@H]1[C@H]2C=CC1)c1cc2OCOc2cc1Br

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Molecular Weight: 428.28
Empirical Formula: C21H18BrNO4

Physical State: Dry powder
Available Amount: 11 mg

Lipinsky:
logP: 5.588
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 56
Number of rings: 5

     

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