COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL558206
Chemical Name: 1-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-3-methylthiourea
Smiles: CNC(=S)Nc1cc(OC)c(cc1Cc1nccc2c1cc(OC)c(c2)OC)OC

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Molecular Weight: 427.52
Empirical Formula: C22H25N3O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.789
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 105
Number of rings: 3

     

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