COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL444607
Chemical Name: 11-[2-(butan-2-yloxy)phenyl]-3-(3,4-dimethoxyphenyl)-10-(phenylcarbonyl)-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)c1ccccc1)cccc2)C

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Molecular Weight: 602.73
Empirical Formula: C38H38N2O5

Physical State: Dry powder
Available Amount: 418 mg

Lipinsky:
logP: 7.408
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 77
Number of rings: 6

     

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