COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL048023
Chemical Name: (8E)-1,3-dimethyl-7-(propan-2-yl)-8-[(2E)-(pyridin-4-ylmethylidene)hydrazinylidene]-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c(=O)c2c1[nH]/c(=N\N=C\c1ccncc1)/n2C(C)C

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Molecular Weight: 341.37
Empirical Formula: C16H19N7O2

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 0.843
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 93
Number of rings: 3

     

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