COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL534641
Chemical Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-Nalpha-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]-L-tryptophanamide
Smiles: O=C([C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H]1NCc2c(C1)cccc2)Nc1ccc2c(c1)OCCO2

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Saltdata: HCl
Molecular Weight: 496.57
Empirical Formula: C29H28N4O4

Physical State: Dry powder
Available Amount: 282 mg

Lipinsky:
logP: 3.326
Rotatable bonds: 3
H-donors: 4
H-acceptors: 4
PSA: 104
Number of rings: 6

     

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