COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK407175
Chemical Name: 11-(1,3-benzodioxol-5-yl)-3-[4-(dimethylamino)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CN(c1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc2c(c1)OCO2)C

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Molecular Weight: 453.54
Empirical Formula: C28H27N3O3

Physical State: Dry powder
Available Amount: 199 mg

Lipinsky:
logP: 4.014
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 62
Number of rings: 6

     

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