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915305
Source:
http://linkedlifedata.com/resource/chembl/compound/915305
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Subject
(
44
)
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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/C19H20N4O2/c1-19(2,3)14-9-15-20-16-13(17(24)23(15)21-14)11-22(18(16)25)10-12-7-5-4-6-8-12/h4-9,24H,10-11H2,1-3H3
chemicalCompound:standardIn...
HCCZYSHZNRQNIN-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CC(C)(C)c1cc2nc3C(=O)N(Cc4ccccc4)Cc3c(O)n2n1
chemicalCompound:molecularF...
C19H20N4O2
chemicalCompound:moleculeId
915305
chemicalCompound:mwFreebase
336.388
chemicalCompound:alogp
3.408
chemicalCompound:hba
4
chemicalCompound:hbd
1
chemicalCompound:psa
70.72
chemicalCompound:rtb
3
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
5.118
chemicalCompound:acdLogP
3.457
chemicalCompound:acdLogD
0.773
chemicalCompound:molecularS...
molecularSpecies:ACID
chemicalCompound:fullMwt
336.388
chemicalCompound:acdMostBpk...
0.883
chemicalCompound:chemblId
CHEMBL1491421
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1015305
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:4144349
,
activity:5685443
,
activity:5791611
,
activity:6452441
,
activity:6809436
,
activity:6843383
,
activity:7043578
,
activity:7084691
,
activity:7555374
,
activity:10788460