COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050044
Chemical Name: (8E)-1-(3-fluorobenzyl)-3,7-dimethyl-8-[(2E)-(thiophen-2-ylmethylidene)hydrazinylidene]-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: Fc1cccc(c1)Cn1c(=O)n(C)c2c(c1=O)n(C)/c(=N/N=C/c1cccs1)/[nH]2

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Molecular Weight: 412.45
Empirical Formula: C19H17FN6O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.654
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 108
Number of rings: 4

     

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