COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL537003
Chemical Name: 3-benzyl-7-({1-[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-1-oxopropan-2-yl}oxy)-4,8-dimethyl-2H-chromen-2-one
Smiles: O=C(C(Oc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1)C)N1CC[C@@]2([C@H](C1)CCCC2)O

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Molecular Weight: 489.61
Empirical Formula: C30H35NO5

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 5.334
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 76
Number of rings: 5

     

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