COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL534268
Chemical Name: N-(2-methoxybenzyl)-Nalpha-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]-L-tryptophanamide
Smiles: COc1ccccc1CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H]1NCc2c(C1)cccc2

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Saltdata: HCl
Molecular Weight: 482.58
Empirical Formula: C29H30N4O3

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 3.286
Rotatable bonds: 6
H-donors: 4
H-acceptors: 3
PSA: 95
Number of rings: 5

     

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