COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK231944
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2-methoxyethyl)amino]ethylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COCCN/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CCC)/C

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Molecular Weight: 358.46
Empirical Formula: C18H22N4O2S

Physical State: Dry powder
Available Amount: 121 mg

Lipinsky:
logP: 3.312
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 95
Number of rings: 3

     

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