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14202
Source:
http://linkedlifedata.com/resource/chembl/compound/14202
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Subject
(
33
)
Predicate
Object
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
chemicalCompound:standardIn...
InChI=1S/C12H14N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6-7,13-15H,4-5H2,1H3
chemicalCompound:standardIn...
AZTMWIPCEFFOJD-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CC1NCCc2c1[nH]c3cc(O)ccc23
chemicalCompound:molecularF...
C12H14N2O
chemicalCompound:moleculeId
14202
chemicalCompound:mwFreebase
202.252
chemicalCompound:alogp
2.056
chemicalCompound:hba
2
chemicalCompound:hbd
3
chemicalCompound:psa
48.05
chemicalCompound:rtb
0
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
9.963
chemicalCompound:acdLogP
2.472
chemicalCompound:acdLogD
-0.144
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
202.252
chemicalCompound:acdMostBpk...
10.908
chemicalCompound:chemblId
CHEMBL14122
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:114202
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No