COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK554684
Chemical Name: methyl(1S,2S,3S)-3-cyano-1-(2,2-dimethylpropanoyl)-2-(4-nitrophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@H](c2ccc(cc2)[N+](=O)[O-])[C@H](N2C1C=Cc1c2cccc1)C(=O)C(C)(C)C

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Molecular Weight: 459.5
Empirical Formula: C26H25N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.297
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 116
Number of rings: 4

     

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