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Sources
144
Source:
http://linkedlifedata.com/resource/chembl/compound/144
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Subject
(
35
)
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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/C22H32O2/c1-21-11-9-15(23)13-14(21)3-6-17-18-7-8-20(24-16-4-5-16)22(18,2)12-10-19(17)21/h13,16-20H,3-12H2,1-2H3/t17?,18?,19?,20-,21-,22-/m0/s1
chemicalCompound:standardIn...
VFUUEBWDCNNJEJ-OPBBSMSLSA-N
chemicalCompound:canonicalS...
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@H]2OC5CC5
chemicalCompound:molecularF...
C22 H32 O2
chemicalCompound:moleculeId
144
chemicalCompound:mwFreebase
328.488
chemicalCompound:alogp
4.371
chemicalCompound:hba
2
chemicalCompound:hbd
0
chemicalCompound:psa
26.3
chemicalCompound:rtb
2
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
4.281
chemicalCompound:acdLogD
4.281
chemicalCompound:fullMwt
328.488
chemicalCompound:chemblId
CHEMBL267913
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:100144
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:488222
,
activity:488223
,
activity:488224
,
activity:488225