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Sources
769925
Source:
http://linkedlifedata.com/resource/chembl/compound/769925
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Subject
(
42
)
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/C25H33N5O4/c1-7-33-24(32)14-22(19-8-10-20(11-9-19)34-15(2)3)28-23(31)13-12-21-16(4)26-25-27-18(6)29-30(25)17(21)5/h8-11,15,22H,7,12-14H2,1-6H3,(H,28,31)
chemicalCompound:standardIn...
RZCFCHXZAITMBD-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CCOC(=O)CC(NC(=O)CCc1c(C)nc2nc(C)nn2c1C)c3ccc(OC(C)C)cc3
chemicalCompound:molecularF...
C25H33N5O4
chemicalCompound:moleculeId
769925
chemicalCompound:mwFreebase
467.561
chemicalCompound:alogp
3.086
chemicalCompound:hba
7
chemicalCompound:hbd
1
chemicalCompound:psa
107.71
chemicalCompound:rtb
11
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
3.343
chemicalCompound:acdLogD
3.343
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
467.561
chemicalCompound:acdMostBpk...
2.549
chemicalCompound:chemblId
CHEMBL1346041
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:869925
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:4150993
,
activity:5044374
,
activity:5413905
,
activity:5569724
,
activity:5573382
,
activity:5856375
,
activity:6712597
,
activity:6733369
,
activity:8313964