COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL532525
Chemical Name: methylN-{[(1R,4aS,8aS)-1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetyl}tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CN1CC[C@@]2([C@H]([C@@H]1c1ccc3c(c1)OCO3)CCCC2)O

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Molecular Weight: 533.62
Empirical Formula: C30H35N3O6

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 4.279
Rotatable bonds: 7
H-donors: 3
H-acceptors: 6
PSA: 113
Number of rings: 6

     

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