COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK262129
Chemical Name: (4E)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-({[2-(piperazin-1-yl)ethyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1)C1=NN(C(=O)/C/1=C/NCCN1CCNCC1)c1ccc(cc1)[N+](=O)[O-]

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Saltdata: HCl
Molecular Weight: 450.5
Empirical Formula: C23H26N6O4

Physical State: Dry powder
Available Amount: 394 mg

Lipinsky:
logP: 1.49
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 115
Number of rings: 4

     

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