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Sources
130
Source:
http://linkedlifedata.com/resource/chembl/compound/130
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Subject
(
34
)
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Inference
Explicit and implicit
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Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C23H34O3/c1-22-9-8-19-17(18(22)6-7-21(22)26-16-3-4-16)5-2-15-10-20(24)14-11-23(15,19)13-25-12-14/h2,14,16-21,24H,3-13H2,1H3/t14-,17?,18?,19?,20-,21+,22+,23-/m1/s1
chemicalCompound:standardIn...
NXHVROPEBMRJEZ-XQTJTSDDSA-N
chemicalCompound:canonicalS...
C[C@]12CCC3C(CC=C4C[C@@H](O)[C@H]5COC[C@@]34C5)C1CC[C@@H]2OC6CC6
chemicalCompound:molecularF...
C23 H34 O3
chemicalCompound:moleculeId
130
chemicalCompound:mwFreebase
358.514
chemicalCompound:alogp
2.91
chemicalCompound:hba
3
chemicalCompound:hbd
1
chemicalCompound:psa
38.69
chemicalCompound:rtb
2
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
3.61
chemicalCompound:acdLogD
3.61
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
358.514
chemicalCompound:chemblId
CHEMBL413593
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:100130
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:498568
,
activity:498569