COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK544366
Chemical Name: methyl(1S,2S,3S)-2-(4-bromophenyl)-3-[(4-chlorophenyl)carbamoyl]-1-cyano-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@H](c2ccc(cc2)Br)[C@H](N2C1c1ccccc1C=C2)C(=O)Nc1ccc(cc1)Cl

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Molecular Weight: 562.85
Empirical Formula: C28H21BrClN3O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.806
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 82
Number of rings: 5

     

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