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Sources
547214
Source:
http://linkedlifedata.com/resource/chembl/compound/547214
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Subject
(
37
)
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Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:parent
chemicalCompound:66
chemicalCompound:standardIn...
InChI=1S/C23H24ClN5O3.ClH/c1-31-19-13-17-18(14-20(19)32-2)26-23(27-22(17)25)29-11-9-28(10-12-29)21(30)8-5-15-3-6-16(24)7-4-15;/h3-8,13-14H,9-12H2,1-2H3,(H2,25,26,27);1H/b8-5+;
chemicalCompound:standardIn...
FAMAKBSZIGGBRI-HAAWTFQLSA-N
chemicalCompound:canonicalS...
Cl.COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)\C=C\c4ccc(Cl)cc4
chemicalCompound:molecularF...
C23H25Cl2N5O3
chemicalCompound:moleculeId
547214
chemicalCompound:mwFreebase
453.921
chemicalCompound:alogp
3.224
chemicalCompound:hba
7
chemicalCompound:hbd
1
chemicalCompound:psa
93.81
chemicalCompound:rtb
5
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
N
chemicalCompound:acdLogP
3.383
chemicalCompound:acdLogD
3.329
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
490.382
chemicalCompound:acdMostBpk...
6.524
chemicalCompound:chemblId
CHEMBL543422
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:647214
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:558131
,
activity:558132
,
activity:558133