COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK036144
Chemical Name: N-{(1Z)-3-(dimethylamino)-1-[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxoprop-1-en-2-yl}benzamide
Smiles: CN(C(=O)/C(=C/c1cn(nc1c1cccc(c1)[N+](=O)[O-])c1ccccc1)/NC(=O)c1ccccc1)C

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Molecular Weight: 481.51
Empirical Formula: C27H23N5O4

Physical State: Dry powder
Available Amount: 699 mg

Lipinsky:
logP: 3.388
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 113
Number of rings: 4

     

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