COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK054153
Chemical Name: methyl11-(1,3-benzodioxol-5-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Smiles: COC(=O)C1C(C)CC2=C(C1=O)C(Nc1c(N2)cccc1)c1ccc2c(c1)OCO2

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Molecular Weight: 406.44
Empirical Formula: C23H22N2O5

Physical State: Dry powder
Available Amount: 208 mg

Lipinsky:
logP: 2.789
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 85
Number of rings: 5

     

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