COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK262163
Chemical Name: [(4E)-1-(1,3-benzothiazol-2-yl)-4-{1-[(4-methylpiperazin-1-yl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]aceticacid
Smiles: CN1CCN(CC1)N/C(=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)CC(=O)O)/C

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Molecular Weight: 414.49
Empirical Formula: C19H22N6O3S

Physical State: Dry powder
Available Amount: 146 mg

Lipinsky:
logP: 1.784
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 129
Number of rings: 4

     

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