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Sources
8
Source:
http://linkedlifedata.com/resource/chembl/compound/8
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Subject
(
34
)
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Inference
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Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C16H8Cl3N3O3/c17-8-1-3-10(12(18)5-8)15(24)11-4-2-9(6-13(11)19)22-16(25)21-14(23)7-20-22/h1-7H,(H,21,23,25)
chemicalCompound:standardIn...
STDSVETYHZLIBJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Clc1ccc(C(=O)c2ccc(cc2Cl)N3N=CC(=O)NC3=O)c(Cl)c1
chemicalCompound:molecularF...
C16 H8 Cl3 N3 O3
chemicalCompound:moleculeId
8
chemicalCompound:mwFreebase
396.612
chemicalCompound:alogp
4.187
chemicalCompound:hba
4
chemicalCompound:hbd
1
chemicalCompound:psa
78.84
chemicalCompound:rtb
3
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
6.077
chemicalCompound:acdLogP
4.096
chemicalCompound:acdLogD
2.835
chemicalCompound:molecularS...
molecularSpecies:ACID
chemicalCompound:fullMwt
396.612
chemicalCompound:chemblId
CHEMBL268097
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:100008
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:207045