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119941
Source:
http://linkedlifedata.com/resource/chembl/compound/119941
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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/C18H20ClN3O2/c1-18(2)21-14-10-16(24-4)15(23-3)9-13(14)17(22-18)20-12-7-5-6-11(19)8-12/h5-10,21H,1-4H3,(H,20,22)
chemicalCompound:standardIn...
PUABVLLUNPGSTN-UHFFFAOYSA-N
chemicalCompound:canonicalS...
COc1cc2NC(C)(C)N=C(Nc3cccc(Cl)c3)c2cc1OC
chemicalCompound:molecularF...
C18 H20 Cl N3 O2
chemicalCompound:moleculeId
119941
chemicalCompound:mwFreebase
345.823
chemicalCompound:alogp
3.233
chemicalCompound:hba
5
chemicalCompound:hbd
2
chemicalCompound:psa
54.88
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
4.474
chemicalCompound:acdLogD
3.969
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
345.823
chemicalCompound:acdMostBpk...
7.757
chemicalCompound:chemblId
CHEMBL306104
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:219941
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:455046