COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK553992
Chemical Name: methyl(1S,2S,3S)-3-cyano-1-(2,2-dimethylpropanoyl)-2-(4-methoxyphenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COc1ccc(cc1)[C@@H]1[C@H](N2C([C@@]1(C#N)C(=O)OC)C=Cc1c2cccc1)C(=O)C(C)(C)C

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Molecular Weight: 444.53
Empirical Formula: C27H28N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.482
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 79
Number of rings: 4

     

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