COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK542203
Chemical Name: methyl(1S,2S,3S)-1-acetyl-2-(4-bromophenyl)-3-cyano-7-methoxy-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@H](c2ccc(cc2)Br)[C@H](N2C1C=Cc1c2ccc(c1)OC)C(=O)C

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Molecular Weight: 481.35
Empirical Formula: C24H21BrN2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.976
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 79
Number of rings: 4

     

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