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222675
Source:
http://linkedlifedata.com/resource/chembl/compound/222675
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Subject
(
35
)
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Inference
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Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C26H24N4O/c1-4-23-28-24-17(2)14-18(3)27-25(24)30(23)16-19-10-11-22-21(15-19)12-13-29(22)26(31)20-8-6-5-7-9-20/h5-15H,4,16H2,1-3H3
chemicalCompound:standardIn...
OMUMLNYJHYDQDZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CCc1nc2c(C)cc(C)nc2n1Cc3ccc4c(ccn4C(=O)c5ccccc5)c3
chemicalCompound:molecularF...
C26 H24 N4 O
chemicalCompound:moleculeId
222675
chemicalCompound:mwFreebase
408.495
chemicalCompound:alogp
5.827
chemicalCompound:hba
3
chemicalCompound:hbd
0
chemicalCompound:psa
52.71
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
1
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
5.617
chemicalCompound:acdLogD
5.581
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
408.495
chemicalCompound:acdMostBpk...
6.333
chemicalCompound:chemblId
CHEMBL341407
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:322675
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:223014
,
activity:223015