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Sources
804765
Source:
http://linkedlifedata.com/resource/chembl/compound/804765
Search
Subject
(
46
)
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/C19H19N3O5S2/c1-22(2)29(23,24)15-5-3-4-14(11-15)18-20-21-19(27-18)28-12-13-6-7-16-17(10-13)26-9-8-25-16/h3-7,10-11H,8-9,12H2,1-2H3
chemicalCompound:standardIn...
NCHMTCFPFPKPET-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CN(C)S(=O)(=O)c1cccc(c1)c2oc(SCc3ccc4OCCOc4c3)nn2
chemicalCompound:molecularF...
C19H19N3O5S2
chemicalCompound:moleculeId
804765
chemicalCompound:mwFreebase
433.501
chemicalCompound:alogp
2.698
chemicalCompound:hba
7
chemicalCompound:hbd
0
chemicalCompound:psa
128.44
chemicalCompound:rtb
6
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
4.229
chemicalCompound:acdLogD
4.229
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
433.501
chemicalCompound:chemblId
CHEMBL1380881
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:904765
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:3625119
,
activity:3921891
,
activity:4436360
,
activity:4457238
,
activity:4618292
,
activity:4739522
,
activity:4787984
,
activity:4968670
,
activity:5077482
,
activity:6542856
,
activity:6601179
,
activity:6793796
,
activity:7156409
,
activity:10788372