COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK061784
Chemical Name: (1S,2S,3aR)-1-acetyl-2-(3,5-dimethoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Smiles: N#CC1(C#N)[C@H](c2cc(OC)cc(c2)OC)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)C

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Molecular Weight: 399.45
Empirical Formula: C24H21N3O3

Physical State: Dry powder
Available Amount: 362 mg

Lipinsky:
logP: 2.425
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 86
Number of rings: 4

     

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