COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK092462
Chemical Name: 11-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CCOc1cc(cc(c1O)Br)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1cccs1

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Molecular Weight: 511.44
Empirical Formula: C25H23BrN2O3S

Physical State: Dry powder
Available Amount: 450 mg

Lipinsky:
logP: 4.329
Rotatable bonds: 5
H-donors: 3
H-acceptors: 3
PSA: 98
Number of rings: 5

     

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