COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK943372
Chemical Name: 3,7-bis[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine
Smiles: C1Oc2c(O1)ccc(c2)CSc1nnc2n1c1sc3c(c1c1n2c(SCc2ccc4c(c2)OCO4)nn1)CCCC3

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Molecular Weight: 602.72
Empirical Formula: C28H22N6O4S3

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 9.262
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 176
Number of rings: 9

     

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