COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK095311
Chemical Name: methyl4-{(1S,2S,3aR)-3,3-dicyano-1-[(4-fluorophenyl)carbonyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-2-yl}benzoate
Smiles: COC(=O)c1ccc(cc1)[C@@H]1[C@@H](C(=O)c2ccc(cc2)F)N2[C@@H](C1(C#N)C#N)C=Cc1c2cccc1

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Molecular Weight: 477.49
Empirical Formula: C29H20FN3O3

Available Amount: 0 mg

Lipinsky:
logP: 4.443
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 94
Number of rings: 5

     

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