COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK667998
Chemical Name: (1S,2S,3aR)-1-acetyl-2-(1,3-benzodioxol-5-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Smiles: N#CC1(C#N)[C@H](c2ccc3c(c2)OCO3)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)C

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Molecular Weight: 383.41
Empirical Formula: C23H17N3O3

Available Amount: 0 mg

Lipinsky:
logP: 2.576
Rotatable bonds: 0
H-donors: 0
H-acceptors: 3
PSA: 86
Number of rings: 5

     

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