COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK385579
Chemical Name: 2-ethoxy-4-[(Z)-(2-heptyl-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenyl2-nitrobenzenesulfonate
Smiles: CCCCCCCc1nn2c(=NC(=O)/C(=C\c3ccc(c(c3)OCC)OS(=O)(=O)c3ccccc3[N+](=O)[O-])/C2=N)s1

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Molecular Weight: 599.69
Empirical Formula: C27H29N5O7S2

Physical State: Dry powder
Available Amount: 198 mg

Lipinsky:
logP: 5.044
Rotatable bonds: 12
H-donors: 1
H-acceptors: 7
PSA: 200
Number of rings: 4

     

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