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194630
Source:
http://linkedlifedata.com/resource/chembl/compound/194630
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Subject
(
38
)
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Inference
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Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C24H18ClFN4O/c1-15-6-2-3-7-20(15)30-22(31)12-11-19(28-30)24-23(17-10-9-16(26)14-18(17)25)27-21-8-4-5-13-29(21)24/h2-10,13-14H,11-12H2,1H3
chemicalCompound:standardIn...
FMCXTTHVULYFDI-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cc1ccccc1N2N=C(CCC2=O)c3c(nc4ccccn34)c5ccc(F)cc5Cl
chemicalCompound:molecularF...
C24 H18 Cl F N4 O
chemicalCompound:moleculeId
194630
chemicalCompound:mwFreebase
432.877
chemicalCompound:alogp
5.303
chemicalCompound:hba
3
chemicalCompound:hbd
0
chemicalCompound:psa
49.97
chemicalCompound:rtb
3
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
1
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
4.183
chemicalCompound:acdLogD
4.183
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
432.877
chemicalCompound:acdMostBpk...
2.37
chemicalCompound:chemblId
CHEMBL118466
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:294630
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:37486
,
activity:37487
,
activity:37488
,
activity:37489
,
activity:37490