COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK528630
Chemical Name: (4E)-4-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-phenyl-5-[(phenylsulfanyl)methyl]-2,4-dihydro-3H-pyrazol-3-one
Smiles: O=C1N(N=C(/C/1=C\c1ccc(o1)c1ccccc1[N+](=O)[O-])CSc1ccccc1)c1ccccc1

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Molecular Weight: 481.53
Empirical Formula: C27H19N3O4S

Physical State: Dry powder
Available Amount: 64 mg

Lipinsky:
logP: 6.682
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 116
Number of rings: 5

     

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