COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK053978
Chemical Name: 3-(4-methoxyphenyl)-11-[4-(methylsulfanyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(cc1)SC

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Molecular Weight: 442.58
Empirical Formula: C27H26N2O2S

Physical State: Dry powder
Available Amount: 415 mg

Lipinsky:
logP: 4.444
Rotatable bonds: 0
H-donors: 2
H-acceptors: 2
PSA: 75
Number of rings: 5

     

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