COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK991255
Chemical Name: (2E)-3-{4-[(2,6-dichlorobenzyl)oxy]-3-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)ccc1OCc1c(Cl)cccc1Cl

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Molecular Weight: 490.43
Empirical Formula: C26H29Cl2NO4

Physical State: Dry powder
Available Amount: 294 mg

Lipinsky:
logP: 5.51
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 59
Number of rings: 4

     

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