|
gptkbp:instanceOf
|
gptkb:chemical_compound
|
|
gptkbp:hasAlogP
|
2.2
|
|
gptkbp:hasAssay
|
binding
|
|
gptkbp:hasBiologicalActivity
|
inhibitor
|
|
gptkbp:hasHBA
|
5
|
|
gptkbp:hasHBD
|
1
|
|
gptkbp:hasInChIKey
|
gptkb:QJQJQJQJQJQJQJ-UHFFFAOYSA-N
|
|
gptkbp:hasLogP
|
2.2
|
|
gptkbp:hasMolecularFormula
|
C17H19N3O3S
|
|
gptkbp:hasNumAromaticRings
|
2
|
|
gptkbp:hasNumAtoms
|
43
|
|
gptkbp:hasNumHeavyAtoms
|
24
|
|
gptkbp:hasNumHeteroatoms
|
7
|
|
gptkbp:hasNumHydrogenBondAcceptors
|
5
|
|
gptkbp:hasNumHydrogenBondDonors
|
1
|
|
gptkbp:hasNumLipinskiRO5Violations
|
0
|
|
gptkbp:hasNumRings
|
2
|
|
gptkbp:hasNumRotatableBonds
|
6
|
|
gptkbp:hasNumStereocenters
|
0
|
|
gptkbp:hasPSA
|
92.2
|
|
gptkbp:hasRotatableBonds
|
6
|
|
gptkbp:hasSMILES
|
COc1ccc(cc1)NC(=O)c2ccc(cc2N(C)C)S(=O)(=O)C
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
CHEMBL479469
|
|
gptkbp:isDatabaseEntryIn
|
gptkb:ChEMBL
|
|
gptkbp:molecularWeight
|
345.42
|
|
gptkbp:organism
|
gptkb:Homo_sapiens
|
|
gptkbp:PubChem_CID
|
gptkb:CHEMBL479469
|
|
gptkbp:synonym
|
gptkb:N-(4-methoxyphenyl)-4-(methylamino)-3-(methylsulfonyl)benzamide
gptkb:GSK-3_Inhibitor_VIII
|
|
gptkbp:target
|
gptkb:Glycogen_synthase_kinase-3_beta
|
|
gptkbp:bfsParent
|
gptkb:BX-795
|
|
gptkbp:bfsLayer
|
7
|