COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK133555
Chemical Name: 1-{6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-oxo-1,4-dihydropyrimidin-2-yl}-2-(2,4-dimethoxyphenyl)guanidine
Smiles: COc1ccc(c(c1)OC)/N=C(/Nc1nc(=O)cc([nH]1)CSc1nc2c(s1)cccc2)\N

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Molecular Weight: 468.56
Empirical Formula: C21H20N6O3S2

Physical State: Dry powder
Available Amount: 447 mg

Lipinsky:
logP: 4.402
Rotatable bonds: 5
H-donors: 4
H-acceptors: 3
PSA: 176
Number of rings: 4

     

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