COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051740
Chemical Name: 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-12-(3,4-dimethoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3-ium-9-olate
Smiles: COc1cc(ccc1OC)C1c2ccc(cc2Oc2c1c1nc([nH+]n1cn2)CSc1nc2c(o1)cccc2)[O-]

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Molecular Weight: 539.57
Empirical Formula: C28H21N5O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.354
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 146
Number of rings: 7

     

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