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1068878
Source:
http://linkedlifedata.com/resource/chembl/compound/1068878
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Subject
(
35
)
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Inference
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Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C19H28ClN5O/c1-12(2)10-24-6-4-14(5-7-24)9-22-19(26)15-8-16(20)17(21)25-11-13(3)23-18(15)25/h8,11-12,14H,4-7,9-10,21H2,1-3H3,(H,22,26)
chemicalCompound:standardIn...
ISKHMDNIWXPUGR-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CC(C)CN1CCC(CNC(=O)c2cc(Cl)c(N)n3cc(C)nc23)CC1
chemicalCompound:molecularF...
C19H28ClN5O
chemicalCompound:moleculeId
1068878
chemicalCompound:mwFreebase
377.912
chemicalCompound:alogp
2.398
chemicalCompound:hba
4
chemicalCompound:hbd
2
chemicalCompound:psa
75.66
chemicalCompound:rtb
5
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
11.639
chemicalCompound:acdLogP
3.012
chemicalCompound:acdLogD
0.639
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
377.912
chemicalCompound:acdMostBpk...
9.339
chemicalCompound:chemblId
CHEMBL1671898
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1168878
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:5219006