COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK594352
Chemical Name: (4E)-4-[(1,3-benzothiazol-2-ylamino)methylidene]-2-(3,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: O=C1N(c2ccc(c(c2)C)C)C(=O)c2c(/C/1=C\Nc1nc3c(s1)cccc3)cccc2

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Molecular Weight: 425.51
Empirical Formula: C25H19N3O2S

Physical State: Dry powder
Available Amount: 230 mg

Lipinsky:
logP: 5.98
Rotatable bonds: 0
H-donors: 1
H-acceptors: 2
PSA: 90
Number of rings: 5

     

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