COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL533385
Chemical Name: (2E)-1-[1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one
Smiles: COc1ccc(cc1OC)C1N(CCC2(C1CCCC2)O)C(=O)/C=C/c1ccc(cc1)C(C)C

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Molecular Weight: 463.62
Empirical Formula: C29H37NO4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.588
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 59
Number of rings: 4

     

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