COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042766
Chemical Name: (8E)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-[(2E)-(pyridin-3-ylmethylidene)hydrazinylidene]-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: O=c1n(C)c2[nH]/c(=N\N=C\c3cccnc3)/n(c2c(=O)n1C)Cc1cccc2c1cccc2

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Molecular Weight: 439.48
Empirical Formula: C24H21N7O2

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 3.312
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 93
Number of rings: 5

     

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