COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK586110
Chemical Name: 2-{[2-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(4-nitrophenyl)ethanone
Smiles: CSc1nc(SCC(=O)c2ccc(cc2)[N+](=O)[O-])c2c(n1)sc1c2CCC1

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Molecular Weight: 417.53
Empirical Formula: C18H15N3O3S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.411
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 167
Number of rings: 4

     

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