COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK242218
Chemical Name: N,N-dimethyl-4-[6-(3,4,5-triethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]aniline
Smiles: CCOc1cc(cc(c1OCC)OCC)c1nn2c(s1)nnc2c1ccc(cc1)N(C)C

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Saltdata: HCl
Molecular Weight: 453.57
Empirical Formula: C23H27N5O3S

Physical State: Dry powder
Available Amount: 245 mg

Lipinsky:
logP: 7.103
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 102
Number of rings: 4

     

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