COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK538494
Chemical Name: 4-{[(E)-3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: Cc1c(/N=C/c2cccc3c2OCCCO3)c(=O)n(n1C)c1ccccc1

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Molecular Weight: 363.42
Empirical Formula: C21H21N3O3

Physical State: Dry powder
Available Amount: 181 mg

Lipinsky:
logP: 2.331
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 54
Number of rings: 4

     

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