COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK042238
Chemical Name: (4Z)-4-{[(3,3-diphenylpropyl)amino]methylidene}-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1)C1=NN(C(=O)/C/1=C\NCCC(c1ccccc1)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 532.6
Empirical Formula: C32H28N4O4

Physical State: Dry powder
Available Amount: 108 mg

Lipinsky:
logP: 5.717
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 99
Number of rings: 5

     

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