COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK541778
Chemical Name: 3,7-bis[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-11-tert-butyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine
Smiles: CC(C1CCc2c(C1)sc1c2c2nnc(n2c2n1c(SCc1ccc3c(c1)OCO3)nn2)SCc1ccc2c(c1)OCO2)(C)C

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Molecular Weight: 658.83
Empirical Formula: C32H30N6O4S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 10.982
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 176
Number of rings: 9

     

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