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Sources
76
Source:
http://linkedlifedata.com/resource/chembl/compound/76
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Subject
(
35
)
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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/C17H11Cl2N3O3/c1-9-6-12(22-17(25)21-14(23)8-20-22)7-13(19)15(9)16(24)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,21,23,25)
chemicalCompound:standardIn...
DRZJIUZHBUPPIJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cc1cc(cc(Cl)c1C(=O)c2ccc(Cl)cc2)N3N=CC(=O)NC3=O
chemicalCompound:molecularF...
C17 H11 Cl2 N3 O3
chemicalCompound:moleculeId
76
chemicalCompound:mwFreebase
376.194
chemicalCompound:alogp
4.009
chemicalCompound:hba
4
chemicalCompound:hbd
1
chemicalCompound:psa
78.84
chemicalCompound:rtb
3
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
6.095
chemicalCompound:acdLogP
4.324
chemicalCompound:acdLogD
3.077
chemicalCompound:molecularS...
molecularSpecies:ACID
chemicalCompound:fullMwt
376.194
chemicalCompound:chemblId
CHEMBL6236
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:100076
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:217625
,
activity:217626