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1313597
Source:
http://linkedlifedata.com/resource/chembl/compound/1313597
Search
Subject
(
100
of
many
)
Predicate
Object
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C21H17F3N4O3/c1-25-19(29)18-12-17(9-10-26-18)31-16-7-5-14(6-8-16)27-20(30)28-15-4-2-3-13(11-15)21(22,23)24/h2-12H,1H3,(H,25,29)(H2,27,28,30)
chemicalCompound:standardIn...
WFTZMAAMCVPJJT-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)ccn1
chemicalCompound:molecularF...
C21H17F3N4O3
chemicalCompound:moleculeId
1313597
chemicalCompound:mwFreebase
430.38
chemicalCompound:alogp
3.511
chemicalCompound:hba
4
chemicalCompound:hbd
3
chemicalCompound:psa
92.35
chemicalCompound:rtb
6
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
13.387
chemicalCompound:acdLogP
3.451
chemicalCompound:acdLogD
3.451
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
430.38
chemicalCompound:acdMostBpk...
2.693
chemicalCompound:chemblId
CHEMBL1992306
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1413597
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:9507470
,
activity:9507991
,
activity:9520013
,
activity:9520227
,
activity:9520487
,
activity:9520717
,
activity:9523753
,
activity:9524077
,
activity:9528988
,
activity:9532587
,
activity:9532829
,
activity:9532928
,
activity:9533274
,
activity:9535974
,
activity:9536228
,
activity:9536512
,
activity:9539868
,
activity:9545030
,
activity:9545377
,
activity:9548712
,
activity:9549319
,
activity:9552173
,
activity:9552516
,
activity:9552747
,
activity:9557276
,
activity:9557676
,
activity:9557815
,
activity:9561051
,
activity:9565326
,
activity:9565721
,
activity:9568790
,
activity:9570295
,
activity:9572163
,
activity:9573451
,
activity:9574809
,
activity:9575163
,
activity:9575525
,
activity:9576160
,
activity:9577641
,
activity:9578383
,
activity:9580113
,
activity:9581678
,
activity:9581774
,
activity:9583107
,
activity:9583191
,
activity:9584531
,
activity:9584903
,
activity:9586276
,
activity:9587234
,
activity:9587495
,
activity:9587732
,
activity:9589113
,
activity:9589265
,
activity:9589985
,
activity:9592297
,
activity:9593493
,
activity:9594456
,
activity:9594778
,
activity:9595222
,
activity:9596338
,
activity:9596988
,
activity:9597673
,
activity:9597754
,
activity:9598821
,
activity:9599599
,
activity:9600530
More...