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261804
Source:
http://linkedlifedata.com/resource/chembl/compound/261804
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Subject
(
46
)
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/C13H16ClN3O2/c1-3-19-13(18)16-12-15-11(8-17(12)2)9-6-4-5-7-10(9)14/h4-7,11H,3,8H2,1-2H3,(H,15,16,18)
chemicalCompound:standardIn...
VRTLNUTULYRDSQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CCOC(=O)NC1=NC(CN1C)c2ccccc2Cl
chemicalCompound:molecularF...
C13 H16 Cl N3 O2
chemicalCompound:moleculeId
261804
chemicalCompound:mwFreebase
281.738
chemicalCompound:alogp
2.707
chemicalCompound:hba
4
chemicalCompound:hbd
1
chemicalCompound:psa
53.93
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
8.928
chemicalCompound:acdLogP
2.363
chemicalCompound:acdLogD
1.914
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
281.738
chemicalCompound:acdMostBpk...
7.67
chemicalCompound:chemblId
CHEMBL346362
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:361804
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:799493
,
activity:799494
,
activity:799495
,
activity:799496
,
activity:799497
,
activity:799498
,
activity:799499
,
activity:799500
,
activity:799501
,
activity:799502
,
activity:799503
,
activity:799504