COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053421
Chemical Name: (8E)-8-[(2E)-(5-bromo-2-oxo-1-propyl-1,2-dihydro-3H-indol-3-ylidene)hydrazinylidene]-1,3,7-trimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: CCCN1C(=O)/C(=N/N=c/2\[nH]c3c(n2C)c(=O)n(c(=O)n3C)C)/c2c1ccc(c2)Br

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Molecular Weight: 474.32
Empirical Formula: C19H20BrN7O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.224
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 100
Number of rings: 4

     

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