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Sources
550280
Source:
http://linkedlifedata.com/resource/chembl/compound/550280
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Subject
(
47
)
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
rdf:type
chembl:ChemicalCompound
chemicalCompound:parent
chemicalCompound:146
chemicalCompound:standardIn...
InChI=1S/C18H20FN3O4.ClH/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21;/h7-8,10H,3-6,9H2,1-2H3,(H,24,25);1H
chemicalCompound:standardIn...
CAOOISJXWZMLBN-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cl.CC1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=CN1c24)C(=O)O
chemicalCompound:molecularF...
C18H21ClFN3O4
chemicalCompound:moleculeId
550280
chemicalCompound:mwFreebase
361.367
chemicalCompound:alogp
-1.374
chemicalCompound:hba
7
chemicalCompound:hbd
1
chemicalCompound:psa
73.32
chemicalCompound:rtb
2
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
N
chemicalCompound:acdMostApk...
5.192
chemicalCompound:acdLogP
1.855
chemicalCompound:acdLogD
-0.393
chemicalCompound:molecularS...
molecularSpecies:ACID
chemicalCompound:fullMwt
397.828
chemicalCompound:acdMostBpk...
7.369
chemicalCompound:chemblId
CHEMBL556371
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:650280
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:2094567
,
activity:2094568
,
activity:2094569
,
activity:2094570
,
activity:2094571
,
activity:2094572
,
activity:2094574
,
activity:2094580
,
activity:2094587
,
activity:2094592
,
activity:2094596
,
activity:2094600