COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056063
Chemical Name: 12-(3,4-dimethoxyphenyl)-2-[({[(E)-phenylmethylidene]amino}oxy)methyl]-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3-ium-9-olate
Smiles: COc1ccc(cc1OC)C1c2ccc(cc2Oc2c1c1nc([nH+]n1cn2)CO/N=C/c1ccccc1)[O-]

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Molecular Weight: 509.52
Empirical Formula: C28H23N5O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.03
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 116
Number of rings: 6

     

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