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1310170
Source:
http://linkedlifedata.com/resource/chembl/compound/1310170
Search
Subject
(
82
)
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/C18H19ClN4O4/c19-11-8-6-10(7-9-11)15(24)21-13-14(22-18(27)23-17(13)26)16(25)20-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H,20,25)(H,21,24)(H2,22,23,26,27)
chemicalCompound:standardIn...
FEWQWUFOYTYZAO-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Clc1ccc(cc1)C(=O)NC2=C(NC(=O)NC2=O)C(=O)NC3CCCCC3
chemicalCompound:molecularF...
C18H19ClN4O4
chemicalCompound:moleculeId
1310170
chemicalCompound:mwFreebase
390.821
chemicalCompound:alogp
1.438
chemicalCompound:hba
4
chemicalCompound:hbd
4
chemicalCompound:psa
116.4
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
N
chemicalCompound:acdMostApk...
4.788
chemicalCompound:acdLogP
2.351
chemicalCompound:acdLogD
0.433
chemicalCompound:molecularS...
molecularSpecies:ACID
chemicalCompound:fullMwt
390.821
chemicalCompound:chemblId
CHEMBL1988879
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1410170
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:8249771
,
activity:8299304
,
activity:8404558
,
activity:8424708
,
activity:8439893
,
activity:8524168
,
activity:8576288
,
activity:8600844
,
activity:8657389
,
activity:8772468
,
activity:8775073
,
activity:8809139
,
activity:8928313
,
activity:8971227
,
activity:9076158
,
activity:9099252
,
activity:9101469
,
activity:9168476
,
activity:9188394
,
activity:9232468
,
activity:9291908
,
activity:9336536
,
activity:9360422
,
activity:9363788
,
activity:9370817
,
activity:9443455
,
activity:9450438
,
activity:9716175
,
activity:9795990
,
activity:9863030
,
activity:9892013
,
activity:9925690
,
activity:9963584
,
activity:10084948
,
activity:10101326
,
activity:10108796
,
activity:10172396
,
activity:10217234
,
activity:10249945
,
activity:10326319
,
activity:10372702
,
activity:10572032
,
activity:10595324
,
activity:10621612
,
activity:10671622
,
activity:10704460
,
activity:10720437
,
activity:10797353
,
activity:10820439