COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK567885
Chemical Name: (8E)-7-(2-chlorobenzyl)-1,3-dimethyl-8-[(2Z)-(3-methylcyclohexylidene)hydrazinylidene]-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: CC1CCC/C(=N/N=c/2\[nH]c3c(n2Cc2ccccc2Cl)c(=O)n(c(=O)n3C)C)/C1

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Molecular Weight: 428.92
Empirical Formula: C21H25ClN6O2

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 3.223
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 80
Number of rings: 4

     

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