COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL531465
Chemical Name: trans-4-[({N-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]-L-methionyl}amino)methyl]cyclohexanecarboxylicacid
Smiles: CSCC[C@@H](C(=O)NC[C@@H]1CC[C@H](CC1)C(=O)O)NC(=O)[C@H]1NCc2c(C1)cccc2

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Saltdata: HCl
Molecular Weight: 447.6
Empirical Formula: C23H33N3O4S

Physical State: Dry powder
Available Amount: 56 mg

Lipinsky:
logP: 1.583
Rotatable bonds: 6
H-donors: 4
H-acceptors: 4
PSA: 132
Number of rings: 3

     

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