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950476
Source:
http://linkedlifedata.com/resource/chembl/compound/950476
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Subject
(
44
)
Predicate
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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/C16H14ClN3O2/c1-22-15-7-6-12(8-13(15)17)19-10-16(21)20-14-5-3-2-4-11(14)9-18/h2-8,19H,10H2,1H3,(H,20,21)
chemicalCompound:standardIn...
VOTNDVPENZDXTQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...
COc1ccc(NCC(=O)Nc2ccccc2C#N)cc1Cl
chemicalCompound:molecularF...
C16H14ClN3O2
chemicalCompound:moleculeId
950476
chemicalCompound:mwFreebase
315.754
chemicalCompound:alogp
2.802
chemicalCompound:hba
4
chemicalCompound:hbd
2
chemicalCompound:psa
74.15
chemicalCompound:rtb
5
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
12.946
chemicalCompound:acdLogP
2.183
chemicalCompound:acdLogD
2.183
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
315.754
chemicalCompound:acdMostBpk...
2.95
chemicalCompound:chemblId
CHEMBL1526592
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1050476
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:4011102
,
activity:4127028
,
activity:4211583
,
activity:4413409
,
activity:4807678
,
activity:4910053
,
activity:5707664
,
activity:5869732
,
activity:6466883
,
activity:6869971