COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL171077
Chemical Name: (4Z)-2-(4-nitrophenyl)-5-phenyl-4-{[(piperidin-4-ylmethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Smiles: O=C1N(N=C(/C/1=C/NCC1CCNCC1)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 405.46
Empirical Formula: C22H23N5O3

Physical State: Dry powder
Available Amount: 36 mg

Lipinsky:
logP: 2.14
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 102
Number of rings: 4

     

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