COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK698928
Chemical Name: 2,2'-(10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine-3,7-diyldisulfanediyl)bis[1-(4-bromophenyl)ethanone]
Smiles: Brc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c1n2c(SCC(=O)c2ccc(cc2)Br)nn1)CCCC3

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Molecular Weight: 728.51
Empirical Formula: C28H20Br2N6O2S3

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 10.471
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 173
Number of rings: 7

     

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