COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL357454
Chemical Name: (4E)-4-{[(1,3-benzodioxol-5-ylmethyl)amino]methylidene}-2-(1,3-benzothiazol-2-yl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: O=C1N(N=C(/C/1=C\NCc1ccc2c(c1)OCO2)c1ccccc1)c1nc2c(s1)cccc2

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Molecular Weight: 454.51
Empirical Formula: C25H18N4O3S

Physical State: Dry powder
Available Amount: 176 mg

Lipinsky:
logP: 5.186
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 104
Number of rings: 6

     

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