COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK678568
Chemical Name: 4-[3-(3,4-dimethoxyphenyl)-1-oxo-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoicacid
Smiles: COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1cccs1)C(=O)CCC(=O)O

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Molecular Weight: 532.62
Empirical Formula: C29H28N2O6S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 3.697
Rotatable bonds: 8
H-donors: 2
H-acceptors: 6
PSA: 133
Number of rings: 5

     

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