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Sources
92602
Source:
http://linkedlifedata.com/resource/chembl/compound/92602
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Subject
(
37
)
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Inference
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Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C22H17N3O/c1-24-15-9-5-3-7-12(15)17-14-11-23-22(26)19(14)18-13-8-4-6-10-16(13)25(2)21(18)20(17)24/h3-10H,11H2,1-2H3,(H,23,26)
chemicalCompound:standardIn...
SUEMEPLCFVXWCH-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cn1c2ccccc2c3c4CNC(=O)c4c5c6ccccc6n(C)c5c13
chemicalCompound:molecularF...
C22 H17 N3 O
chemicalCompound:moleculeId
92602
chemicalCompound:mwFreebase
339.39
chemicalCompound:alogp
4.19
chemicalCompound:hba
1
chemicalCompound:hbd
1
chemicalCompound:psa
38.96
chemicalCompound:rtb
0
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
4.187
chemicalCompound:acdLogD
4.187
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
339.39
chemicalCompound:chemblId
CHEMBL301620
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:192602
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:184105
,
activity:184106
,
activity:184107
,
activity:184108
,
activity:184109