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Sources
846101
Source:
http://linkedlifedata.com/resource/chembl/compound/846101
Search
Subject
(
74
)
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:parent
chemicalCompound:1043159
chemicalCompound:standardIn...
InChI=1S/C24H25N3O2.ClH/c1-18-11-13-19(14-12-18)15-26-22-9-5-6-10-23(22)27(24(26)25)16-20(28)17-29-21-7-3-2-4-8-21;/h2-14,20,25,28H,15-17H2,1H3;1H
chemicalCompound:standardIn...
XKVCKHLDBGWDHL-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cl.Cc1ccc(CN2C(=N)N(CC(O)COc3ccccc3)c4ccccc24)cc1
chemicalCompound:molecularF...
C24H26ClN3O2
chemicalCompound:moleculeId
846101
chemicalCompound:mwFreebase
387.474
chemicalCompound:alogp
4.35
chemicalCompound:hba
3
chemicalCompound:hbd
2
chemicalCompound:psa
59.79
chemicalCompound:rtb
7
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
13.513
chemicalCompound:acdLogP
4.613
chemicalCompound:acdLogD
2.798
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
423.935
chemicalCompound:acdMostBpk...
10.256
chemicalCompound:chemblId
CHEMBL1422217
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:946101
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:3648363
,
activity:3791894
,
activity:3827285
,
activity:3955200
,
activity:4007468
,
activity:4097004
,
activity:4106750
,
activity:4222111
,
activity:4385778
,
activity:4399816
,
activity:4416019
,
activity:4479282
,
activity:4562459
,
activity:4690391
,
activity:4729207
,
activity:4737308
,
activity:4790392
,
activity:4904749
,
activity:4953307
,
activity:4992727
,
activity:5019114
,
activity:5020033
,
activity:5565295
,
activity:5687940
,
activity:5879054
,
activity:6462504
,
activity:6479128
,
activity:6743115
,
activity:6757989
,
activity:6842854
,
activity:6894094
,
activity:6960516
,
activity:7307107
,
activity:7354126
,
activity:7543361
,
activity:8287511
,
activity:9967597
,
activity:10306482
,
activity:10672852