COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK552646
Chemical Name: methyl(1R,2S,3S,3aS)-1-{[4-(acetyloxy)phenyl]carbonyl}-3-cyano-2-(4-methoxyphenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COc1ccc(cc1)[C@@H]1[C@H](C(=O)c2ccc(cc2)OC(=O)C)N2[C@H]([C@@]1(C#N)C(=O)OC)C=Cc1c2cccc1

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Molecular Weight: 522.56
Empirical Formula: C31H26N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.575
Rotatable bonds: 2
H-donors: 0
H-acceptors: 6
PSA: 105
Number of rings: 5

     

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