COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK682573
Chemical Name: 3-{[7-(2,6-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(3,4-dimethylphenyl)propanamide
Smiles: O=C(Nc1ccc(c(c1)C)C)CCSc1nc2c(n1Cc1c(Cl)cccc1Cl)c(=O)n(c(=O)n2C)C

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Molecular Weight: 546.48
Empirical Formula: C25H25Cl2N5O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.413
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 4

     

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