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Sources
42323
Source:
http://linkedlifedata.com/resource/chembl/compound/42323
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Subject
(
38
)
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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/C12H13N3OS/c16-10-6-15-5-8-7-3-1-2-4-9(7)17-11(8)14-12(15)13-10/h1-6H2,(H,13,14,16)
chemicalCompound:standardIn...
YQZXTKDIHWCCEN-UHFFFAOYSA-N
chemicalCompound:canonicalS...
O=C1CN2Cc3c4CCCCc4sc3N=C2N1
chemicalCompound:molecularF...
C12 H13 N3 O S
chemicalCompound:moleculeId
42323
chemicalCompound:mwFreebase
247.316
chemicalCompound:alogp
1.806
chemicalCompound:hba
3
chemicalCompound:hbd
1
chemicalCompound:psa
72.94
chemicalCompound:rtb
0
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
12.82
chemicalCompound:acdLogP
1.172
chemicalCompound:acdLogD
1.172
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
247.316
chemicalCompound:acdMostBpk...
2.706
chemicalCompound:chemblId
CHEMBL31429
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:142323
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:161749
,
activity:161750
,
activity:161751
,
activity:161752