COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK091909
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-({2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl}amino)ethylidene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: O=C(N1CCN(CC1)CCN/C(=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1)/C)C(C)C

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Molecular Weight: 516.67
Empirical Formula: C28H32N6O2S

Physical State: Dry powder
Available Amount: 684 mg

Lipinsky:
logP: 4.58
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 109
Number of rings: 5

     

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