COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK234899
Chemical Name: (4E)-4-({[(2Z)-6-ethoxy-1,3-benzothiazol-2(3H)-ylidene]amino}methylidene)-5-methyl-2-(3-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCOc1ccc2c(c1)s/c(=N\C=C\1/C(=NN(C1=O)c1cccc(c1)C)C)/[nH]2

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Saltdata: HCl
Molecular Weight: 392.48
Empirical Formula: C21H20N4O2S

Physical State: Dry powder
Available Amount: 123 mg

Lipinsky:
logP: 4.483
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 91
Number of rings: 4

     

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