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28375
Source:
http://linkedlifedata.com/resource/chembl/compound/28375
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Subject
(
36
)
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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/C22H19N5O2/c1-14-11-21(20(12-28)15(2)23-14)29-13-16-7-9-17(10-8-16)18-5-3-4-6-19(18)22-24-26-27-25-22/h3-12H,13H2,1-2H3,(H,24,25,26,27)
chemicalCompound:standardIn...
YKXWSALUAAWVHP-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cc1cc(OCc2ccc(cc2)c3ccccc3c4nn[nH]n4)c(C=O)c(C)n1
chemicalCompound:molecularF...
C22 H19 N5 O2
chemicalCompound:moleculeId
28375
chemicalCompound:mwFreebase
385.419
chemicalCompound:alogp
3.558
chemicalCompound:hba
6
chemicalCompound:hbd
1
chemicalCompound:psa
93.65
chemicalCompound:rtb
6
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
4.224
chemicalCompound:acdLogP
4.377
chemicalCompound:acdLogD
2.394
chemicalCompound:molecularS...
molecularSpecies:ACID
chemicalCompound:fullMwt
385.419
chemicalCompound:acdMostBpk...
5.978
chemicalCompound:chemblId
CHEMBL22837
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:128375
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:136954
,
activity:136955