COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK056437
Chemical Name: 3-(4-chlorophenyl)-11-(2,3,4-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: COc1ccc(c(c1OC)OC)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl

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Molecular Weight: 490.99
Empirical Formula: C28H27ClN2O4

Physical State: Dry powder
Available Amount: 468 mg

Lipinsky:
logP: 4.077
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 68
Number of rings: 5

     

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