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160176
Source:
http://linkedlifedata.com/resource/chembl/compound/160176
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Subject
(
37
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C22H23N5O3/c28-18-8-4-3-7-17(18)26-12-9-25(10-13-26)11-14-27-21(29)20-19(24-22(27)30)15-5-1-2-6-16(15)23-20/h1-8,23,28H,9-14H2,(H,24,30)
chemicalCompound:standardIn...
GBFNGIUKBXQBKO-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Oc1ccccc1N2CCN(CCN3C(=O)Nc4c([nH]c5ccccc45)C3=O)CC2
chemicalCompound:molecularF...
C22 H23 N5 O3
chemicalCompound:moleculeId
160176
chemicalCompound:mwFreebase
405.45
chemicalCompound:alogp
2.881
chemicalCompound:hba
5
chemicalCompound:hbd
3
chemicalCompound:psa
91.91
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
11.252
chemicalCompound:acdLogP
4.104
chemicalCompound:acdLogD
3.814
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
405.45
chemicalCompound:acdMostBpk...
7.116
chemicalCompound:chemblId
CHEMBL99879
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:260176
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:activity
activity:1179099
,
activity:1179100
,
activity:1179101