COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK541583
Chemical Name: methyl(1S,2S,3S)-1-acetyl-3-cyano-7-methoxy-2-(4-nitrophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COc1ccc2c(c1)C=CC1N2[C@H](C(=O)C)[C@H]([C@]1(C#N)C(=O)OC)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 447.45
Empirical Formula: C24H21N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.934
Rotatable bonds: 2
H-donors: 0
H-acceptors: 6
PSA: 125
Number of rings: 4

     

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