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871501
Source:
http://linkedlifedata.com/resource/chembl/compound/871501
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Subject
(
40
)
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:standardIn...
InChI=1S/C17H24N4O4S2/c22-27(23,17-2-1-16(26-17)15-3-12-25-18-15)21-8-6-19(7-9-21)4-5-20-10-13-24-14-11-20/h1-3,12H,4-11,13-14H2
chemicalCompound:standardIn...
YZTJATIIYKZGBT-UHFFFAOYSA-N
chemicalCompound:canonicalS...
O=S(=O)(N1CCN(CCN2CCOCC2)CC1)c3ccc(s3)c4ccon4
chemicalCompound:molecularF...
C17H24N4O4S2
chemicalCompound:moleculeId
871501
chemicalCompound:mwFreebase
412.527
chemicalCompound:alogp
1.209
chemicalCompound:hba
6
chemicalCompound:hbd
0
chemicalCompound:psa
115.73
chemicalCompound:rtb
6
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
2.984
chemicalCompound:acdLogD
2.435
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
412.527
chemicalCompound:acdMostBpk...
7.494
chemicalCompound:chemblId
CHEMBL1447617
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:971501
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:4009200
,
activity:4358946
,
activity:4412196
,
activity:4813517
,
activity:5872231
,
activity:6737133
,
activity:7165472