COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK559941
Chemical Name: 8-{2-[(Z)-{1-[2-(cyclohex-1-en-1-yl)ethyl]-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene}methyl]hydrazinyl}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C\NNc1nc2c(n1C)c(=O)n(c(=O)n2C)C)CCC1=CCCCC1

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Molecular Weight: 486.55
Empirical Formula: C21H26N8O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.721
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 171
Number of rings: 4

     

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