COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK554346
Chemical Name: ethyl(1R,2R,3R,3aS)-2-[4-(acetyloxy)-3-methoxyphenyl]-3-cyano-1-(2,2-dimethylpropanoyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: CCOC(=O)[C@]1(C#N)[C@@H](c2ccc(c(c2)OC)OC(=O)C)[C@@H](N2[C@H]1C=Cc1c2cccc1)C(=O)C(C)(C)C

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Molecular Weight: 516.59
Empirical Formula: C30H32N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.26
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 105
Number of rings: 4

     

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