COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK741682
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(4-methylpiperazin-1-yl)amino]methylidene}-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CN1CCN(CC1)N/C=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1

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Molecular Weight: 418.52
Empirical Formula: C22H22N6OS

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 2.879
Rotatable bonds: 0
H-donors: 1
H-acceptors: 1
PSA: 92
Number of rings: 5

     

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