COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295731
Chemical Name: (4E)-2-(4-iodophenyl)-4-{[(6-methoxy-1,3-benzothiazol-2-yl)amino]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc2c(c1)sc(n2)N/C=C/1\C(=NN(C1=O)c1ccc(cc1)I)C

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Molecular Weight: 490.32
Empirical Formula: C19H15IN4O2S

Physical State: Dry powder
Available Amount: 612 mg

Lipinsky:
logP: 4.387
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 95
Number of rings: 4

     

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