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Sources
1313
Source:
http://linkedlifedata.com/resource/chembl/compound/1313
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Subject
Predicate
Object
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(
45
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:1313
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:1313
chemicalCompound:standardIn...
InChI=1S/C21H25ClN6O2/c1-21(2)26-19(23)25-20(24)28(21)15-8-9-17(16(22)11-15)30-12-13-6-5-7-14(10-13)18(29)27(3)4/h5-11H,12H2,1-4H3,(H4,23,24,25,26)
lld:chembl
chemicalCompound:1313
chemicalCompound:standardIn...
WJHBDAIAIDOONY-UHFFFAOYSA-N
lld:chembl
chemicalCompound:1313
chemicalCompound:canonicalS...
CN(C)C(=O)c1cccc(COc2ccc(cc2Cl)N3C(=NC(=NC3(C)C)N)N)c1
lld:chembl
chemicalCompound:1313
chemicalCompound:molecularF...
C21 H25 Cl N6 O2
lld:chembl
chemicalCompound:1313
chemicalCompound:moleculeId
1313
lld:chembl
chemicalCompound:1313
chemicalCompound:mwFreebase
428.915
lld:chembl
chemicalCompound:1313
chemicalCompound:alogp
2.604
lld:chembl
chemicalCompound:1313
chemicalCompound:hba
7
lld:chembl
chemicalCompound:1313
chemicalCompound:hbd
2
lld:chembl
chemicalCompound:1313
chemicalCompound:psa
109.54
lld:chembl
chemicalCompound:1313
chemicalCompound:rtb
5
lld:chembl
chemicalCompound:1313
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:1313
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:1313
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:1313
chemicalCompound:acdLogP
0.746
lld:chembl
chemicalCompound:1313
chemicalCompound:acdLogD
-0.926
lld:chembl
chemicalCompound:1313
chemicalCompound:molecularS...
molecularSpecies:BASE
lld:chembl
chemicalCompound:1313
chemicalCompound:fullMwt
428.915
lld:chembl
chemicalCompound:1313
chemicalCompound:acdMostBpk...
9.336
lld:chembl
chemicalCompound:1313
chemicalCompound:chemblId
CHEMBL6666
lld:chembl
chemicalCompound:1313
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:1313
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:1313
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:1313
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:1313
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:1313
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:1313
chemicalCompound:oral
No
lld:chembl
chemicalCompound:1313
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:1313
chemicalCompound:topical
No
lld:chembl
chemicalCompound:1313
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:1313
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:1313
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:1313
chemicalCompound:activity
activity:68795
lld:chembl
chemicalCompound:1313
chemicalCompound:activity
activity:68796
lld:chembl
chemicalCompound:1313
chemicalCompound:activity
activity:68797
lld:chembl
chemicalCompound:1313
chemicalCompound:activity
activity:68798
lld:chembl
chemicalCompound:1313
chemicalCompound:activity
activity:504632
lld:chembl
chemicalCompound:1313
chemicalCompound:activity
activity:511692
lld:chembl
chemicalCompound:1313
chemicalCompound:activity
activity:577574
lld:chembl
chemicalCompound:529477
chemicalCompound:parent
chemicalCompound:1313
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:1313
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:1313
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:1313
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:1313
lld:chembl