COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL458084
Chemical Name: (2S,3R)-2-(6,7-dimethoxy-1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxamido)-3-methylpentanoicacid
Smiles: COc1ccc(cc1)C1N(CCc2c1cc(OC)c(c2)OC)C(=O)N[C@@H](C(CC)C)C(=O)O

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Molecular Weight: 456.54
Empirical Formula: C25H32N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.186
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 97
Number of rings: 3

     

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