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1051946
Source:
http://linkedlifedata.com/resource/chembl/compound/1051946
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Subject
(
35
)
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Inference
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Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C13H12N4O2S/c1-9-11(20-12-14-8-15-17(9)12)7-19-13(18)16-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,16,18)
chemicalCompound:standardIn...
AQHDPZJWXRAEAB-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cc1c(COC(=O)Nc2ccccc2)sc3ncnn13
chemicalCompound:molecularF...
C13H12N4O2S
chemicalCompound:moleculeId
1051946
chemicalCompound:mwFreebase
288.325
chemicalCompound:alogp
2.064
chemicalCompound:hba
4
chemicalCompound:hbd
1
chemicalCompound:psa
96.76
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
13.334
chemicalCompound:acdLogP
0
chemicalCompound:acdLogD
0
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
288.325
chemicalCompound:acdMostBpk...
2.397
chemicalCompound:chemblId
CHEMBL1630072
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1151946
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:5114903