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837309
Source:
http://linkedlifedata.com/resource/chembl/compound/837309
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Subject
(
42
)
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
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C14H15N5O2/c20-7-6-15-14-17-12-11(13(21)18-14)19(9-16-12)8-10-4-2-1-3-5-10/h1-5,9,20H,6-8H2,(H2,15,17,18,21)
chemicalCompound:standardIn...
VMYVSEIRFNZSPD-UHFFFAOYSA-N
chemicalCompound:canonicalS...
OCCNc1nc(O)c2c(ncn2Cc3ccccc3)n1
chemicalCompound:molecularF...
C14H15N5O2
chemicalCompound:moleculeId
837309
chemicalCompound:mwFreebase
285.301
chemicalCompound:alogp
1.166
chemicalCompound:hba
6
chemicalCompound:hbd
3
chemicalCompound:psa
96.09
chemicalCompound:rtb
5
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
-4.973
chemicalCompound:acdLogP
-0.712
chemicalCompound:acdLogD
-3.212
chemicalCompound:molecularS...
molecularSpecies:ZWITTERION
chemicalCompound:fullMwt
285.301
chemicalCompound:acdMostBpk...
9.301
chemicalCompound:chemblId
CHEMBL1413425
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:937309
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:3868200
,
activity:4135036
,
activity:4214745
,
activity:5577976
,
activity:5640267
,
activity:6902084
,
activity:6964491
,
activity:7472878