COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK991254
Chemical Name: (2E)-3-(2,4-dichlorophenyl)-1-[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one
Smiles: Clc1ccc(c(c1)Cl)/C=C/C(=O)N1CC[C@@]2([C@H](C1)CCCC2)O

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Molecular Weight: 354.28
Empirical Formula: C18H21Cl2NO2

Physical State: Dry powder
Available Amount: 285 mg

Lipinsky:
logP: 3.741
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 40
Number of rings: 3

     

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