COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL359472
Chemical Name: 4-({(E)-[3-methyl-1-(naphthalen-1-yl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-3-nitrophenylthiocyanate
Smiles: N#CSc1ccc(c(c1)[N+](=O)[O-])N/C=C/1\C(=NN(C1=O)c1cccc2c1cccc2)C

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Molecular Weight: 429.46
Empirical Formula: C22H15N5O3S

Physical State: Dry powder
Available Amount: 239 mg

Lipinsky:
logP: 4.117
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 139
Number of rings: 4

     

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