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95327
Source:
http://linkedlifedata.com/resource/chembl/compound/95327
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Subject
(
36
)
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Inference
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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/C21H21BrN2O2/c22-17-8-5-16(6-9-17)21(26)23-13-11-18(12-14-23)24-19-4-2-1-3-15(19)7-10-20(24)25/h1-6,8-9,18H,7,10-14H2
chemicalCompound:standardIn...
VRJCMPOFDHVQQI-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Brc1ccc(cc1)C(=O)N2CCC(CC2)N3C(=O)CCc4ccccc34
chemicalCompound:molecularF...
C21 H21 Br N2 O2
chemicalCompound:moleculeId
95327
chemicalCompound:mwFreebase
413.308
chemicalCompound:alogp
3.264
chemicalCompound:hba
2
chemicalCompound:hbd
0
chemicalCompound:psa
40.62
chemicalCompound:rtb
2
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
3.773
chemicalCompound:acdLogD
3.773
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
413.308
chemicalCompound:acdMostBpk...
1.007
chemicalCompound:chemblId
CHEMBL431159
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:195327
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:1303702
,
activity:1303703
,
activity:1303704