COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL533811
Chemical Name: (2R,3R)-2-((R)-3-(4-chlorophenyl)-4-((S)-1,2,3,4-tetrahydroisoquinoline-3-carboxamido)butanamido)-3-hydroxybutanoicacidhydrochloride
Smiles: O=C(CC(c1ccc(cc1)Cl)CNC(=O)[C@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)O)C(O)C

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Saltdata: HCl
Molecular Weight: 473.96
Empirical Formula: C24H28ClN3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.966
Rotatable bonds: 6
H-donors: 5
H-acceptors: 5
PSA: 127
Number of rings: 3

     

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