COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL547818
Chemical Name: 5-({1-[(1R,4aS,8aS)-1-(4-chlorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-1-oxopropan-2-yl}oxy)-3,4,7-trimethyl-2H-chromen-2-one
Smiles: Clc1ccc(cc1)[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)C(=O)C(Oc1cc(C)cc2c1c(C)c(c(=O)o2)C)C

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Molecular Weight: 524.06
Empirical Formula: C30H34ClNO5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.1
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 76
Number of rings: 5

     

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