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712393
Source:
http://linkedlifedata.com/resource/chembl/compound/712393
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Subject
(
35
)
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Inference
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Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C15H20BrClN2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(16)10(17)7-11(20)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1
chemicalCompound:standardIn...
XZJGINKCKLOPKC-VIFPVBQESA-N
chemicalCompound:canonicalS...
CCN1CCC[C@H]1CNC(=O)c2c(Br)c(Cl)cc(O)c2OC
chemicalCompound:molecularF...
C15H20BrClN2O3
chemicalCompound:moleculeId
712393
chemicalCompound:mwFreebase
391.688
chemicalCompound:alogp
3.169
chemicalCompound:hba
4
chemicalCompound:hbd
2
chemicalCompound:psa
61.8
chemicalCompound:rtb
5
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
7.739
chemicalCompound:acdLogP
2.969
chemicalCompound:acdLogD
1
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
391.688
chemicalCompound:acdMostBpk...
8.97
chemicalCompound:chemblId
CHEMBL1276427
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:812393
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:3550738