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653339
Source:
http://linkedlifedata.com/resource/chembl/compound/653339
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Subject
(
30
)
Predicate
Object
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
chemicalCompound:standardIn...
InChI=1S/C22H33ClN/c1-2-3-4-5-6-15-24-16-13-20(14-17-24)21(18-24)10-7-19-8-11-22(23)12-9-19/h8-12,20H,2-7,13-18H2,1H3/q+1/b21-10+
chemicalCompound:standardIn...
IIFFZYFXMPWTFJ-UFFVCSGVSA-N
chemicalCompound:canonicalS...
CCCCCCC[N+]12CCC(CC1)\C(=C\Cc3ccc(Cl)cc3)\C2
chemicalCompound:molecularF...
C22H33ClN
chemicalCompound:moleculeId
653339
chemicalCompound:mwFreebase
346.957
chemicalCompound:alogp
5.165
chemicalCompound:hba
0
chemicalCompound:hbd
0
chemicalCompound:psa
0
chemicalCompound:rtb
8
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
1
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
2.081
chemicalCompound:acdLogD
2.081
chemicalCompound:fullMwt
346.957
chemicalCompound:chemblId
CHEMBL1179389
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:753339
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No