COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK636021
Chemical Name: 2-[(2-hydroxy-4,5-dihydro-3H-1-benzazepin-3-yl)sulfanyl]-1-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}ethanone
Smiles: OC1=Nc2ccccc2CCC1SCC(=O)N1CCN(CC1)C/C=C/c1ccccc1

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Molecular Weight: 435.59
Empirical Formula: C25H29N3O2S

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 3.747
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 81
Number of rings: 4

     

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