COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL032304
Chemical Name: (2E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(dimethylamino)prop-2-en-1-one
Smiles: CN(/C=C/C(=O)c1ccc2c(c1)OCCCO2)C

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Molecular Weight: 247.29
Empirical Formula: C14H17NO3

Physical State: Dry powder
Available Amount: 1005 mg

Lipinsky:
logP: 2.862
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 38
Number of rings: 2

     

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