COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK053484
Chemical Name: (4Z)-4-[(butylamino)methylidene]-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCCN/C=C/1\C(=O)N(N=C1c1ccc(cc1)OC)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 394.43
Empirical Formula: C21H22N4O4

Physical State: Dry powder
Available Amount: 88 mg

Lipinsky:
logP: 3.173
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 99
Number of rings: 3

     

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