COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL522541
Chemical Name: 3-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl}-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one
Smiles: COc1cc2C=CN(C(=O)Cc2cc1OC)CC(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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Saltdata: HCl
Molecular Weight: 479.53
Empirical Formula: C26H29N3O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.346
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 80
Number of rings: 5

     

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