COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL303238
Chemical Name: (2E)-3-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-1-[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one
Smiles: COc1cc(/C=C/C(=O)N2CC[C@@]3([C@H](C2)CCCC3)O)cc(c1OCc1ccccc1)Br

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Molecular Weight: 500.43
Empirical Formula: C26H30BrNO4

Physical State: Dry powder
Available Amount: 169 mg

Lipinsky:
logP: 5.06
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 59
Number of rings: 4

     

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