COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK868249
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(furan-2-ylmethyl)amino]methylidene}-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: O=C1N(N=C(/C/1=C\NCc1ccco1)c1ccccc1)c1nc2c(s1)cccc2

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Molecular Weight: 400.46
Empirical Formula: C22H16N4O2S

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 4.485
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 98
Number of rings: 5

     

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