COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK543492
Chemical Name: 3-(diphenylmethyl)1-methyl(1S,2R,3R)-2-(4-bromophenyl)-1-cyano-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,3-dicarboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@@H](c2ccc(cc2)Br)[C@@H](N2C1c1ccccc1C=C2)C(=O)OC(c1ccccc1)c1ccccc1

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Molecular Weight: 619.51
Empirical Formula: C35H27BrN2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.443
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 79
Number of rings: 6

     

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