COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK615422
Chemical Name: 1-[(3R)-3-(4-chlorophenyl)-4-{[(3S)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]amino}butanoyl]piperidine-4-carboxylicacid
Smiles: Clc1ccc(cc1)C(CC(=O)N1CCC(CC1)C(=O)O)CNC(=O)[C@H]1NCc2c(C1)cccc2

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Saltdata: HCl
Molecular Weight: 483.99
Empirical Formula: C26H30ClN3O4

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 2.329
Rotatable bonds: 4
H-donors: 3
H-acceptors: 4
PSA: 98
Number of rings: 4

     

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