COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK143050
Chemical Name: 11-(3-bromophenyl)-3-phenyl-10-[(3,4,5-trimethoxyphenyl)carbonyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: COc1cc(cc(c1OC)OC)C(=O)N1C(c2cccc(c2)Br)C2=C(Nc3c1cccc3)CC(CC2=O)c1ccccc1

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Molecular Weight: 639.55
Empirical Formula: C35H31BrN2O5

Physical State: Dry powder
Available Amount: 117 mg

Lipinsky:
logP: 7.307
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 77
Number of rings: 6

     

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