COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL026301
Chemical Name: 2,2'-[(12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine-3,7-diyl)disulfanediyl]bis[1-(4-bromophenyl)ethanone]
Smiles: Brc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c1n2c(SCC(=O)c2ccc(cc2)Br)nn1)CC(OC3)(C)C

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Molecular Weight: 758.54
Empirical Formula: C29H22Br2N6O3S3

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 9.661
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 182
Number of rings: 7

     

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