COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK838595
Chemical Name: ethyl(2E)-3-[5-(2-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]but-2-enoate
Smiles: CCOC(=O)/C=C(/N1N=C(CC1c1ccccc1[N+](=O)[O-])c1ccccc1)\C

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Molecular Weight: 379.42
Empirical Formula: C21H21N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.987
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 87
Number of rings: 3

     

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