COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK525745
Chemical Name: 1-(heptylsulfanyl)-4-(4-methoxyphenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CCCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)OC)CCCCC3

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Molecular Weight: 496.7
Empirical Formula: C26H32N4O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.132
Rotatable bonds: 7
H-donors: 0
H-acceptors: 2
PSA: 113
Number of rings: 5

     

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