COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL222440
Chemical Name: dimethyl2-({[4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)phenyl]carbonyl}amino)benzene-1,4-dicarboxylate
Smiles: COC(=O)c1ccc(cc1NC(=O)c1ccc(cc1)CN1CCc2c(C1)cccc2)C(=O)OC

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Molecular Weight: 458.51
Empirical Formula: C27H26N2O5

Physical State: Dry powder
Available Amount: 32 mg

Lipinsky:
logP: 5.625
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 84
Number of rings: 4

     

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