COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK061697
Chemical Name: methyl4-[(1S,2S,3aR)-3,3-dicyano-1-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-2-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)[C@@H]1[C@H](N2[C@@H](C1(C#N)C#N)C=Cc1c2cccc1)C(=O)C12CC3CC(C2)CC(C1)C3

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Molecular Weight: 517.63
Empirical Formula: C33H31N3O3

Available Amount: 0 mg

Lipinsky:
logP: 5.575
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 94
Number of rings: 8

     

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