COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL532103
Chemical Name: (2E)-1-[(1R,4aS,8aS)-1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one
Smiles: O=C(N1CC[C@@]2([C@H]([C@@H]1c1ccc3c(c1)OCO3)CCCC2)O)/C=C/c1ccc(cc1)C(C)C

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Molecular Weight: 447.57
Empirical Formula: C28H33NO4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.713
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 59
Number of rings: 5

     

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