COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL026369
Chemical Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
Smiles: O=Cc1cc(n(c1C)c1ccc2c(c1)OCCCO2)C

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Molecular Weight: 271.32
Empirical Formula: C16H17NO3

Physical State: Dry powder
Available Amount: 1560 mg

Lipinsky:
logP: 3.48
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 40
Number of rings: 3

     

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