COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK542009
Chemical Name: methyl(1S,2R,3R)-1-cyano-2-phenyl-3-(phenylcarbonyl)-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@@H](c2ccccc2)[C@@H](N2C1c1ccccc1C=C2)C(=O)c1ccccc1

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Molecular Weight: 434.49
Empirical Formula: C28H22N2O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.507
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 70
Number of rings: 5

     

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