COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK557429
Chemical Name: (6E)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)Cc3ccccc3)C)/C2=N)s1

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Molecular Weight: 474.59
Empirical Formula: C25H26N6O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.357
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 119
Number of rings: 5

     

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