COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK012466
Chemical Name: 9-[4-(hydroxymethyl)cyclohex-3-en-1-yl]-2-{[(4-methoxyphenyl)(diphenyl)methyl]amino}-1,9-dihydro-6H-purin-6-one
Smiles: OCC1=CCC(CC1)n1cnc2c1nc([nH]c2=O)NC(c1ccc(cc1)OC)(c1ccccc1)c1ccccc1

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Molecular Weight: 533.63
Empirical Formula: C32H31N5O3

Physical State: Dry powder
Available Amount: 3 mg

Lipinsky:
logP: 4.537
Rotatable bonds: 4
H-donors: 3
H-acceptors: 3
PSA: 100
Number of rings: 6

     

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