COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL003374
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2-hydroxyethyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: OCCN/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)C)/C

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Molecular Weight: 316.38
Empirical Formula: C15H16N4O2S

Physical State: Dry powder
Available Amount: 1874 mg

Lipinsky:
logP: 1.965
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 106
Number of rings: 3

     

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