COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK531699
Chemical Name: 1-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-8-tert-butyl-4-(2-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Brc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1C)CCC(C3)C(C)(C)C

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Molecular Weight: 621.62
Empirical Formula: C30H29BrN4O2S2

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 9.888
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 121
Number of rings: 6

     

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