COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL019087
Chemical Name: N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-2-[(4-fluorobenzyl)sulfanyl]benzamide
Smiles: COc1cc(NC(=O)c2ccccc2SCc2ccc(cc2)F)c(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC

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Molecular Weight: 598.7
Empirical Formula: C34H31FN2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.25
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 104
Number of rings: 5

     

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