COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK091064
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-{[(5-chloro-2-phenoxyphenyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCC1=NN(C(=O)/C/1=C/Nc1cc(Cl)ccc1Oc1ccccc1)c1nc2c(s1)cccc2

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Molecular Weight: 489
Empirical Formula: C26H21ClN4O2S

Physical State: Dry powder
Available Amount: 782 mg

Lipinsky:
logP: 7.103
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 95
Number of rings: 5

     

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