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Sources
390633
Source:
http://linkedlifedata.com/resource/chembl/compound/390633
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Subject
(
42
)
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Object
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Inference
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Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C31H33F3N6O5/c1-43-27-12-20(13-28(44-2)29(27)45-3)30(41)37-22-5-7-26(25(34)15-22)39-10-8-38(9-11-39)16-31(42,17-40-19-35-18-36-40)23-6-4-21(32)14-24(23)33/h4-7,12-15,18-19,42H,8-11,16-17H2,1-3H3,(H,37,41)
chemicalCompound:standardIn...
PZXDYABWCJKZBD-UHFFFAOYSA-N
chemicalCompound:canonicalS...
COc1cc(cc(OC)c1OC)C(=O)Nc2ccc(N3CCN(CC(O)(Cn4cncn4)c5ccc(F)cc5F)CC3)c(F)c2
chemicalCompound:molecularF...
C31 H33 F3 N6 O5
chemicalCompound:moleculeId
390633
chemicalCompound:mwFreebase
626.626
chemicalCompound:alogp
3.845
chemicalCompound:hba
9
chemicalCompound:hbd
2
chemicalCompound:psa
114.21
chemicalCompound:rtb
11
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
1
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
11.819
chemicalCompound:acdLogP
2.856
chemicalCompound:acdLogD
2.805
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
626.626
chemicalCompound:acdMostBpk...
5.83
chemicalCompound:chemblId
CHEMBL277509
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:490633
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:1935962
,
activity:1935997
,
activity:1936032
,
activity:1936067
,
activity:1936102
,
activity:1936137
,
activity:1936172
,
activity:1936207