COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL514335
Chemical Name: 4-[(2E)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-ylideneammonio]butanoate
Smiles: [O-]C(=O)CCC/[NH+]=C/1\CCCc2c(N1)cccc2

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Molecular Weight: 246.31
Empirical Formula: C14H18N2O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.221
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 66
Number of rings: 2

     

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