COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL200408
Chemical Name: ethyl(2E)-3-[5-(5-bromo-2-hydroxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]but-2-enoate
Smiles: CCOC(=O)/C=C(/N1N=C(CC1c1cc(Br)ccc1O)c1ccc(cc1)OC)\C

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Molecular Weight: 459.34
Empirical Formula: C22H23BrN2O4

Physical State: Dry powder
Available Amount: 200 mg

Lipinsky:
logP: 3.444
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 71
Number of rings: 3

     

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