COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK231995
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(3-methoxypropyl)amino]ethylidene}-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COCCCN/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1)/C

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Molecular Weight: 406.51
Empirical Formula: C22H22N4O2S

Physical State: Dry powder
Available Amount: 87 mg

Lipinsky:
logP: 4.219
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 95
Number of rings: 4

     

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