COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK956937
Chemical Name: 11-(6-bromo-1,3-benzodioxol-5-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cccc1)c1cc2OCOc2cc1Br

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Saltdata: HCl
Molecular Weight: 441.32
Empirical Formula: C22H21BrN2O3

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 4.178
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 59
Number of rings: 5

     

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