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Sources
9979
Source:
http://linkedlifedata.com/resource/chembl/compound/9979
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Subject
(
32
)
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/C17H24N2O2/c1-3-8-18(9-4-2)15-10-13-6-5-7-14-12-21-17(20)19(11-15)16(13)14/h5-7,15H,3-4,8-12H2,1-2H3
chemicalCompound:standardIn...
JVXNCHSKAILTQZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CCCN(CCC)C1CN2C(=O)OCc3cccc(C1)c23
chemicalCompound:molecularF...
C17 H24 N2 O2
chemicalCompound:moleculeId
9979
chemicalCompound:mwFreebase
288.385
chemicalCompound:alogp
3.54
chemicalCompound:hba
3
chemicalCompound:hbd
0
chemicalCompound:psa
32.78
chemicalCompound:rtb
5
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
2.875
chemicalCompound:acdLogD
2.018
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
288.385
chemicalCompound:acdMostBpk...
8.609
chemicalCompound:chemblId
CHEMBL12562
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:109979
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No