COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK206846
Chemical Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-nitrophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCC1=NN(C(=O)/C/1=C/c1ccc2c(c1)OCO2)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 379.37
Empirical Formula: C20H17N3O5

Physical State: Dry powder
Available Amount: 390 mg

Lipinsky:
logP: 4.227
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 96
Number of rings: 4

     

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