COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL537413
Chemical Name: (2E)-1-[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
Smiles: COc1ccc(cc1)/C=C/C(=O)N1CCC2(C(C1c1ccc(cc1)OC)CCCC2)O

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Molecular Weight: 421.54
Empirical Formula: C26H31NO4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.373
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 59
Number of rings: 4

     

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