COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK073102
Chemical Name: 3-(3,4-dimethoxyphenyl)-11-(4-fluorophenyl)-10-(thiophen-2-ylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1ccc(cc1)F)C(=O)c1cccs1

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Molecular Weight: 554.64
Empirical Formula: C32H27FN2O4S

Physical State: Dry powder
Available Amount: 272 mg

Lipinsky:
logP: 5.737
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 96
Number of rings: 6

     

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