COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK079414
Chemical Name: 3-(3,4-dimethoxyphenyl)-11-[4-(methylsulfanyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CSc1ccc(cc1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(c(c1)OC)OC

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Molecular Weight: 472.61
Empirical Formula: C28H28N2O3S

Physical State: Dry powder
Available Amount: 553 mg

Lipinsky:
logP: 4.266
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 84
Number of rings: 5

     

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