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Sources
381838
Source:
http://linkedlifedata.com/resource/chembl/compound/381838
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Subject
(
55
)
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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:synonym
synonym:381838_BMS-564929_RESEARCH_CODE
chemicalCompound:standardIn...
InChI=1S/C14H12ClN3O3/c1-7-9(3-2-8(6-16)11(7)15)18-13(20)12-10(19)4-5-17(12)14(18)21/h2-3,10,12,19H,4-5H2,1H3/t10-,12+/m1/s1
chemicalCompound:standardIn...
KEJORAMIZFOODM-PWSUYJOCSA-N
chemicalCompound:canonicalS...
Cc1c(Cl)c(ccc1N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)C#N
chemicalCompound:molecularF...
C14H12ClN3O3
chemicalCompound:moleculeId
381838
chemicalCompound:mwFreebase
305.716
chemicalCompound:alogp
1.363
chemicalCompound:hba
4
chemicalCompound:hbd
1
chemicalCompound:psa
84.63
chemicalCompound:rtb
1
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
13.376
chemicalCompound:acdLogP
0.47
chemicalCompound:acdLogD
0.47
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
305.716
chemicalCompound:chemblId
CHEMBL229264
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:481838
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:chebiParen...
https://linkedlifedata.com/resource/chebi/id/CHEBI:47181
chemicalCompound:activity
activity:1896525
,
activity:1896551
,
activity:1904923
,
activity:1904940
,
activity:1904963
,
activity:1904964
,
activity:1904965
,
activity:1904966
,
activity:1905013
,
activity:1971024
,
activity:1971036
,
activity:2525818
,
activity:2525832
,
activity:2526924
,
activity:2622586
,
activity:2622587
,
activity:2622619
,
activity:2622620
,
activity:2622647
,
activity:2622677