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1047385
Source:
http://linkedlifedata.com/resource/chembl/compound/1047385
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Subject
(
32
)
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
chemicalCompound:standardIn...
InChI=1S/C25H26N4O3/c1-27-11-13-28(14-12-27)24(30)10-8-20-18-29(21-5-3-2-4-6-21)26-25(20)19-7-9-22-23(17-19)32-16-15-31-22/h2-10,17-18H,11-16H2,1H3/b10-8+
chemicalCompound:standardIn...
NAACUODJWGVTLU-CSKARUKUSA-N
chemicalCompound:canonicalS...
CN1CCN(CC1)C(=O)\C=C\c2cn(nc2c3ccc4OCCOc4c3)c5ccccc5
chemicalCompound:molecularF...
C25H26N4O3
chemicalCompound:moleculeId
1047385
chemicalCompound:mwFreebase
430.499
chemicalCompound:alogp
3.628
chemicalCompound:hba
5
chemicalCompound:hbd
0
chemicalCompound:psa
59.83
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
N
chemicalCompound:acdLogP
1.68
chemicalCompound:acdLogD
1.601
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
430.499
chemicalCompound:acdMostBpk...
6.746
chemicalCompound:chemblId
CHEMBL1624434
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1147385
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No