COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL176746
Chemical Name: 2-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1ccc(cc1COc1ccc(c(c1)C)Cl)c1nn2c(n1)c1c(nc2)sc2c1CCC2

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Molecular Weight: 476.99
Empirical Formula: C25H21ClN4O2S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 8.167
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 89
Number of rings: 6

     

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