COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK056877
Chemical Name: methyl3-methyl-11-(6-nitro-1,3-benzodioxol-5-yl)-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)c1cc2OCOc2cc1[N+](=O)[O-]

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Molecular Weight: 451.44
Empirical Formula: C23H21N3O7

Physical State: Dry powder
Available Amount: 469 mg

Lipinsky:
logP: 2.928
Rotatable bonds: 3
H-donors: 2
H-acceptors: 7
PSA: 131
Number of rings: 5

     

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