COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL408219
Chemical Name: methyl2-({2-[(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)amino]-3,4-dioxocyclobut-1-en-1-yl}amino)benzoate
Smiles: COC(=O)c1ccccc1NC1=C(C(=O)C1=O)NCC1COc2c(O1)cccc2

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Molecular Weight: 394.38
Empirical Formula: C21H18N2O6

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 2.408
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 102
Number of rings: 4

     

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