COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL444606
Chemical Name: 10-acetyl-11-[2-(butan-2-yloxy)phenyl]-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CCC(Oc1ccccc1C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)Nc2c(N1C(=O)C)cccc2)C

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Molecular Weight: 540.66
Empirical Formula: C33H36N2O5

Physical State: Dry powder
Available Amount: 386 mg

Lipinsky:
logP: 5.538
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 77
Number of rings: 5

     

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