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98036
Source:
http://linkedlifedata.com/resource/chembl/compound/98036
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Subject
(
34
)
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Inference
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Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C18H29N5O/c1-20-9-11-21(12-10-20)8-7-19-18(24)23-15-13-22(14-16-23)17-5-3-2-4-6-17/h2-6H,7-16H2,1H3,(H,19,24)
chemicalCompound:standardIn...
OCBFBOLZMYHMQG-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CN1CCN(CCNC(=O)N2CCN(CC2)c3ccccc3)CC1
chemicalCompound:molecularF...
C18 H29 N5 O
chemicalCompound:moleculeId
98036
chemicalCompound:mwFreebase
331.456
chemicalCompound:alogp
1.301
chemicalCompound:hba
4
chemicalCompound:hbd
1
chemicalCompound:psa
42.06
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
0.576
chemicalCompound:acdLogD
0.053
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
331.456
chemicalCompound:acdMostBpk...
7.676
chemicalCompound:chemblId
CHEMBL64402
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:198036
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:1238047