COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK663834
Chemical Name: 1-(4-tert-butylphenyl)-3-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}urea
Smiles: COc1cc(NC(=O)Nc2ccc(cc2)C(C)(C)C)c(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC

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Molecular Weight: 529.64
Empirical Formula: C31H35N3O5

Physical State: Dry powder
Available Amount: 8 mg

Lipinsky:
logP: 6.449
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 90
Number of rings: 4

     

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