COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK231903
Chemical Name: (4Z)-4-{1-[(1,3-benzodioxol-5-ylmethyl)amino]ethylidene}-2-(1,3-benzothiazol-2-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: C/C(=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)C)/NCc1ccc2c(c1)OCO2

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Molecular Weight: 406.47
Empirical Formula: C21H18N4O3S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 3.986
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 104
Number of rings: 5

     

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