COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL033904
Chemical Name: 2-{N-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]alanyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid
Smiles: CCOC(=O)[C@@H](NC(C(=O)N1Cc2ccccc2CC1C(=O)O)C)CCc1ccccc1

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Saltdata: HCl
Molecular Weight: 438.52
Empirical Formula: C25H30N2O5

Physical State: Dry powder
Available Amount: 1005 mg

Lipinsky:
logP: 4.318
Rotatable bonds: 9
H-donors: 2
H-acceptors: 5
PSA: 95
Number of rings: 3

     

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