COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK086983
Chemical Name: 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-8-{(2E)-2-[(3E)-4-phenylbut-3-en-2-ylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(N/N=C(/C=C/c2ccccc2)\C)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)Br

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Molecular Weight: 553.42
Empirical Formula: C25H25BrN6O4

Physical State: Dry powder
Available Amount: 416 mg

Lipinsky:
logP: 4.794
Rotatable bonds: 7
H-donors: 3
H-acceptors: 4
PSA: 121
Number of rings: 4

     

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