COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK047752
Chemical Name: 2-{(E)-[5-imino-7-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenyl2-nitrobenzenesulfonate
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C\c1ccccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C

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Molecular Weight: 499.53
Empirical Formula: C21H17N5O6S2

Physical State: Dry powder
Available Amount: 392 mg

Lipinsky:
logP: 2.579
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 191
Number of rings: 4

     

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