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869375
Source:
http://linkedlifedata.com/resource/chembl/compound/869375
Search
Subject
(
51
)
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/C25H27N3O7S2/c1-34-22-9-13-24(14-10-22)37(32,33)28(21-5-3-2-4-6-21)19-25(29)26-20-7-11-23(12-8-20)36(30,31)27-15-17-35-18-16-27/h2-14H,15-19H2,1H3,(H,26,29)
chemicalCompound:standardIn...
SJRUGQQDSSINLA-UHFFFAOYSA-N
chemicalCompound:canonicalS...
COc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc2ccc(cc2)S(=O)(=O)N3CCOCC3)c4ccccc4
chemicalCompound:molecularF...
C25H27N3O7S2
chemicalCompound:moleculeId
869375
chemicalCompound:mwFreebase
545.628
chemicalCompound:alogp
1.948
chemicalCompound:hba
7
chemicalCompound:hbd
1
chemicalCompound:psa
139.07
chemicalCompound:rtb
9
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
1
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
12.414
chemicalCompound:acdLogP
1.88
chemicalCompound:acdLogD
1.88
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
545.628
chemicalCompound:chemblId
CHEMBL1445491
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:969375
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:3661798
,
activity:3961435
,
activity:4172553
,
activity:4366771
,
activity:4809053
,
activity:5003931
,
activity:5329894
,
activity:5524799
,
activity:5535995
,
activity:5564078
,
activity:5571314
,
activity:5863933
,
activity:5887490
,
activity:5976336
,
activity:6656495
,
activity:6902170
,
activity:7133339
,
activity:7368778