COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK070953
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(butylamino)methylidene]-5-(4-methoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCCN/C=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccc(cc1)OC

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Molecular Weight: 406.51
Empirical Formula: C22H22N4O2S

Physical State: Dry powder
Available Amount: 118 mg

Lipinsky:
logP: 4.949
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 95
Number of rings: 4

     

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