COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK543426
Chemical Name: methyl(1R,2R,3R,3aS)-3-cyano-2-(4-methoxyphenyl)-1-(phenylcarbonyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COc1ccc(cc1)[C@H]1[C@H](C(=O)c2ccccc2)N2[C@H]([C@]1(C#N)C(=O)OC)C=Cc1c2cccc1

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Molecular Weight: 464.52
Empirical Formula: C29H24N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.95
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 79
Number of rings: 5

     

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