COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK075644
Chemical Name: 2,2,2-trifluoro-1-[3-(4-fluorophenyl)-1-hydroxy-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone
Smiles: Fc1ccc(cc1)C1CC(=C2C(=Nc3ccccc3N(C2c2cccs2)C(=O)C(F)(F)F)C1)O

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Molecular Weight: 486.49
Empirical Formula: C25H18F4N2O2S

Physical State: Dry powder
Available Amount: 368 mg

Lipinsky:
logP: 6.783
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 81
Number of rings: 5

     

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