COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK613318
Chemical Name: N-[(3R)-3-(4-chlorophenyl)-4-{[(3S)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]amino}butanoyl]-D-alanine
Smiles: O=C(CC(c1ccc(cc1)Cl)CNC(=O)[C@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)O)C

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Saltdata: HCl
Molecular Weight: 443.93
Empirical Formula: C23H26ClN3O4

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 1.449
Rotatable bonds: 5
H-donors: 4
H-acceptors: 4
PSA: 107
Number of rings: 3

     

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