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Sources
1173
Source:
http://linkedlifedata.com/resource/chembl/compound/1173
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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/C16H23N5O/c1-19(2)11-12-21-14-6-4-3-5-13(14)18-15(16(21)22)20-9-7-17-8-10-20/h3-6,17H,7-12H2,1-2H3
chemicalCompound:standardIn...
VVYHLRRCCGWGCV-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CN(C)CCN1C(=O)C(=Nc2ccccc12)N3CCNCC3
chemicalCompound:molecularF...
C16H23N5O
chemicalCompound:moleculeId
1173
chemicalCompound:mwFreebase
301.387
chemicalCompound:alogp
0.283
chemicalCompound:hba
5
chemicalCompound:hbd
1
chemicalCompound:psa
51.18
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
0.955
chemicalCompound:acdLogD
-1.468
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
301.387
chemicalCompound:acdMostBpk...
8.617
chemicalCompound:chemblId
CHEMBL268440
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:101173
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No