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468912
Source:
http://linkedlifedata.com/resource/chembl/compound/468912
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Subject
(
39
)
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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/C16H20N8O2/c1-2-24-13-10(16(25)20-9-4-3-5-18-6-9)7-19-8-11(13)21-15(24)12-14(17)23-26-22-12/h7-9,18H,2-6H2,1H3,(H2,17,23)(H,20,25)
chemicalCompound:standardIn...
GRMVBDUZCLNCGD-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CCn1c(nc2cncc(C(=O)NC3CCCNC3)c12)c4nonc4N
chemicalCompound:molecularF...
C16H20N8O2
chemicalCompound:moleculeId
468912
chemicalCompound:mwFreebase
356.382
chemicalCompound:alogp
0
chemicalCompound:hba
7
chemicalCompound:hbd
3
chemicalCompound:psa
136.78
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
12.272
chemicalCompound:acdLogP
0.693
chemicalCompound:acdLogD
-0.988
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
356.382
chemicalCompound:acdMostBpk...
9.089
chemicalCompound:chemblId
CHEMBL493067
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:568912
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:2367178
,
activity:2367195
,
activity:2367212
,
activity:2367219
,
activity:2367225