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955748
Source:
http://linkedlifedata.com/resource/chembl/compound/955748
Search
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:955748
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:955748
chemicalCompound:parent
chemicalCompound:6772
lld:chembl
chemicalCompound:955748
chemicalCompound:standardIn...
InChI=1S/C19H21N5O2.2ClH/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24;;/h2-8H,9-13H2,1H3,(H,21,26);2*1H
lld:chembl
chemicalCompound:955748
chemicalCompound:standardIn...
FFNMBRCFFADNAO-UHFFFAOYSA-N
lld:chembl
chemicalCompound:955748
chemicalCompound:canonicalS...
Cl.Cl.CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc4cccnc24)CC1
lld:chembl
chemicalCompound:955748
chemicalCompound:molecularF...
C19H23Cl2N5O2
lld:chembl
chemicalCompound:955748
chemicalCompound:moleculeId
955748
lld:chembl
chemicalCompound:955748
chemicalCompound:mwFreebase
351.402
lld:chembl
chemicalCompound:955748
chemicalCompound:alogp
1.039
lld:chembl
chemicalCompound:955748
chemicalCompound:hba
5
lld:chembl
chemicalCompound:955748
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:955748
chemicalCompound:psa
68.78
lld:chembl
chemicalCompound:955748
chemicalCompound:rtb
2
lld:chembl
chemicalCompound:955748
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:955748
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:955748
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:955748
chemicalCompound:acdMostApk...
11.287
lld:chembl
chemicalCompound:955748
chemicalCompound:acdLogP
0.209
lld:chembl
chemicalCompound:955748
chemicalCompound:acdLogD
-0.075
lld:chembl
chemicalCompound:955748
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:955748
chemicalCompound:fullMwt
424.324
lld:chembl
chemicalCompound:955748
chemicalCompound:acdMostBpk...
7.387
lld:chembl
chemicalCompound:955748
chemicalCompound:chemblId
CHEMBL1531864
lld:chembl
chemicalCompound:955748
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:955748
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:955748
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:955748
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:955748
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:955748
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:955748
chemicalCompound:oral
No
lld:chembl
chemicalCompound:955748
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:955748
chemicalCompound:topical
No
lld:chembl
chemicalCompound:955748
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:955748
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:955748
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:955748
chemicalCompound:chebiParen...
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:955748
chemicalCompound:activity
activity:3651747
lld:chembl
chemicalCompound:955748
chemicalCompound:activity
activity:4538254
lld:chembl
chemicalCompound:955748
chemicalCompound:activity
activity:4715401
lld:chembl
chemicalCompound:955748
chemicalCompound:activity
activity:5061304
lld:chembl
chemicalCompound:955748
chemicalCompound:activity
activity:5724726
lld:chembl
chemicalCompound:955748
chemicalCompound:activity
activity:6832149
lld:chembl
chemicalCompound:955748
chemicalCompound:activity
activity:7015934
lld:chembl
chemicalCompound:955748
chemicalCompound:activity
activity:7451963
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:955748
lld:chembl