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Sources
2208
Source:
http://linkedlifedata.com/resource/chembl/compound/2208
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Subject
(
100
of
many
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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:2208_Atralin_TRADE_NAME
,
synonym:2208_Avita_TRADE_NAME
,
synonym:2208_Renova_TRADE_NAME
,
synonym:2208_Retin-A Micro_TRADE_NAME
,
synonym:2208_Retin-A_TRADE_NAME
,
synonym:2208_Tretin-X_TRADE_NAME
,
synonym:2208_Tretinoin_BAN
,
synonym:2208_Tretinoin_FDA_ALTERNATIVE_NAME
,
synonym:2208_Tretinoin_INN
,
synonym:2208_Tretinoin_TRADE_NAME
,
synonym:2208_Tretinoin_USAN
,
synonym:2208_Tretinoin_USP
,
synonym:2208_Vesanoid_TRADE_NAME
chemicalCompound:standardIn...
InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
chemicalCompound:standardIn...
SHGAZHPCJJPHSC-YCNIQYBTSA-N
chemicalCompound:canonicalS...
C\C(=C/C=C/C(=C/C(=O)O)/C)\C=C\C1=C(C)CCCC1(C)C
chemicalCompound:molecularF...
C20H28O2
chemicalCompound:moleculeId
2208
chemicalCompound:mwFreebase
300.435
chemicalCompound:alogp
5.551
chemicalCompound:hba
2
chemicalCompound:hbd
1
chemicalCompound:psa
37.29
chemicalCompound:rtb
5
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
1
chemicalCompound:medChemFri...
N
chemicalCompound:acdMostApk...
4.728
chemicalCompound:acdLogP
6.263
chemicalCompound:acdLogD
3.625
chemicalCompound:molecularS...
molecularSpecies:ACID
chemicalCompound:fullMwt
300.435
chemicalCompound:chemblId
CHEMBL38
chemicalCompound:maxPhase
4
chemicalCompound:therapeuti...
1
chemicalCompound:dosedIngre...
Yes
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:102208
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
Yes
chemicalCompound:parenteral
No
chemicalCompound:topical
Yes
chemicalCompound:blackBoxWa...
Yes
chemicalCompound:naturalPro...
Yes
chemicalCompound:proDrug
No
chemicalCompound:prefName
TRETINOIN
chemicalCompound:chebiParen...
https://linkedlifedata.com/resource/chebi/id/CHEBI:15367
chemicalCompound:firstAppro...
1982
chemicalCompound:activity
activity:41939
,
activity:41940
,
activity:41941
,
activity:41942
,
activity:41943
,
activity:41944
,
activity:75528
,
activity:75529
,
activity:75530
,
activity:75531
,
activity:75532
,
activity:75533
,
activity:83557
,
activity:83558
,
activity:83559
,
activity:83560
,
activity:83561
,
activity:83562
,
activity:83563
,
activity:134566
,
activity:134567
,
activity:134568
,
activity:134569
,
activity:134570
,
activity:134571
,
activity:134572
,
activity:134573
,
activity:160240
,
activity:167002
,
activity:167003
,
activity:167004
,
activity:167005
,
activity:167006
,
activity:167007
,
activity:170630
,
activity:170631
,
activity:178616
,
activity:192510
,
activity:192511
,
activity:194092
,
activity:194093
,
activity:194094
,
activity:194095
,
activity:194096
,
activity:207163
,
activity:207164
,
activity:207165
,
activity:207166
,
activity:229090
,
activity:229091
,
activity:229092
More...