COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK868440
Chemical Name: (4E)-5-methyl-2-(4-nitrophenyl)-4-{[(thiophen-2-ylmethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1=NN(C(=O)/C/1=C/NCc1cccs1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 342.38
Empirical Formula: C16H14N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.16
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 118
Number of rings: 3

     

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