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84295
Source:
http://linkedlifedata.com/resource/chembl/compound/84295
Search
Subject
(
100
of
many
)
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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:synonym
synonym:84295_NSC-123111_RESEARCH_CODE
chemicalCompound:standardIn...
InChI=1S/C16H17N3O5/c1-6-13(20)12-9(14(21)15(6)23-3)7(5-24-16(17)22)10-11-8(18(11)2)4-19(10)12/h8,11H,4-5H2,1-3H3,(H2,17,22)
chemicalCompound:standardIn...
FSJQMPDKDHPEJH-UHFFFAOYSA-N
chemicalCompound:canonicalS...
COC1=C(C)C(=O)c2c(C1=O)c(COC(=O)N)c3C4C(Cn23)N4C
chemicalCompound:molecularF...
C16H17N3O5
chemicalCompound:moleculeId
84295
chemicalCompound:mwFreebase
331.323
chemicalCompound:alogp
1
chemicalCompound:hba
6
chemicalCompound:hbd
1
chemicalCompound:psa
103.63
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
13.15
chemicalCompound:acdLogP
0.213
chemicalCompound:acdLogD
0.212
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
331.323
chemicalCompound:acdMostBpk...
4.574
chemicalCompound:chemblId
CHEMBL299564
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:184295
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:971076
,
activity:971077
,
activity:971078
,
activity:971079
,
activity:971080
,
activity:971081
,
activity:971082
,
activity:971083
,
activity:971084
,
activity:971085
,
activity:971086
,
activity:971087
,
activity:3234975
,
activity:3234982
,
activity:3234983
,
activity:3234998
,
activity:3235001
,
activity:3235004
,
activity:3235007
,
activity:3235008
,
activity:3235009
,
activity:3235010
,
activity:3235016
,
activity:3235017
,
activity:3235019
,
activity:8242148
,
activity:8252456
,
activity:8364848
,
activity:8392715
,
activity:8429864
,
activity:8472156
,
activity:8509756
,
activity:8557097
,
activity:8568378
,
activity:8630806
,
activity:8637848
,
activity:8696280
,
activity:8720284
,
activity:8742738
,
activity:8835240
,
activity:8846877
,
activity:8875616
,
activity:8891153
,
activity:8954769
,
activity:8996365
,
activity:9013095
,
activity:9055148
,
activity:9104902
,
activity:9151475
,
activity:9171776
,
activity:9268853
,
activity:9280226
,
activity:9344207
,
activity:9409374
,
activity:9416137
,
activity:9488403
,
activity:9495021
,
activity:9522736
,
activity:9663548
,
activity:9708696
,
activity:9835540
,
activity:9850998
,
activity:9884509
,
activity:9922491
,
activity:9997216
More...