COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL079801
Chemical Name: [4-({(1Z)-1-chloro-3-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]prop-1-en-2-yl}sulfanyl)phenyl](hydroxy)oxoammonium
Smiles: Cl/C=C(\Sc1ccc(cc1)[N+](=O)O)/CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3

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Molecular Weight: 467.01
Empirical Formula: C19H17ClN3O3S3

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 0
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 160
Number of rings: 4

     

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