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422770
Source:
http://linkedlifedata.com/resource/chembl/compound/422770
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Subject
Predicate
Object
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(
37
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:422770
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:422770
chemicalCompound:standardIn...
InChI=1S/C19H17N5O/c1-11-16-17(21-13-9-7-12(8-10-13)18(20)25)14-5-3-4-6-15(14)22-19(16)24(2)23-11/h3-10H,1-2H3,(H2,20,25)(H,21,22)
lld:chembl
chemicalCompound:422770
chemicalCompound:standardIn...
ROLHNCDJUXSCIW-UHFFFAOYSA-N
lld:chembl
chemicalCompound:422770
chemicalCompound:canonicalS...
Cc1nn(C)c2nc3ccccc3c(Nc4ccc(cc4)C(=O)N)c12
lld:chembl
chemicalCompound:422770
chemicalCompound:molecularF...
C19 H17 N5 O
lld:chembl
chemicalCompound:422770
chemicalCompound:moleculeId
422770
lld:chembl
chemicalCompound:422770
chemicalCompound:mwFreebase
331.371
lld:chembl
chemicalCompound:422770
chemicalCompound:alogp
2.9
lld:chembl
chemicalCompound:422770
chemicalCompound:hba
4
lld:chembl
chemicalCompound:422770
chemicalCompound:hbd
2
lld:chembl
chemicalCompound:422770
chemicalCompound:psa
85.83
lld:chembl
chemicalCompound:422770
chemicalCompound:rtb
3
lld:chembl
chemicalCompound:422770
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:422770
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:422770
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:422770
chemicalCompound:acdLogP
2.291
lld:chembl
chemicalCompound:422770
chemicalCompound:acdLogD
2.172
lld:chembl
chemicalCompound:422770
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:422770
chemicalCompound:fullMwt
331.371
lld:chembl
chemicalCompound:422770
chemicalCompound:acdMostBpk...
7.215
lld:chembl
chemicalCompound:422770
chemicalCompound:chemblId
CHEMBL252890
lld:chembl
chemicalCompound:422770
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:422770
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:422770
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:422770
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:422770
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:422770
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:422770
chemicalCompound:oral
No
lld:chembl
chemicalCompound:422770
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:422770
chemicalCompound:topical
No
lld:chembl
chemicalCompound:422770
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:422770
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:422770
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:422770
chemicalCompound:activity
activity:2071258
lld:chembl
chemicalCompound:422770
chemicalCompound:activity
activity:2071277
lld:chembl
chemicalCompound:422770
chemicalCompound:activity
activity:2071295
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:422770
lld:chembl