COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL294999
Chemical Name: 6-{[2-({(E)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)phenyl]sulfanyl}-1H,3H-benzo[de]isochromene-1,3-dione
Smiles: CC1=NN(C(=O)/C/1=C/Nc1ccccc1Sc1ccc2c3c1cccc3C(=O)OC2=O)c1ccc(c(c1)C)C

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Molecular Weight: 533.61
Empirical Formula: C31H23N3O4S

Physical State: Dry powder
Available Amount: 522 mg

Lipinsky:
logP: 4.681
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 113
Number of rings: 6

     

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