COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538099
Chemical Name: 4-butyl-7-({1-[1-(4-chlorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-1-oxopropan-2-yl}oxy)-2H-chromen-2-one
Smiles: CCCCc1cc(=O)oc2c1ccc(c2)OC(C(=O)N1CCC2(C(C1c1ccc(cc1)Cl)CCCC2)O)C

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Molecular Weight: 538.08
Empirical Formula: C31H36ClNO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.584
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 76
Number of rings: 5

     

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