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Sources
120
Source:
http://linkedlifedata.com/resource/chembl/compound/120
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Subject
(
37
)
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Inference
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Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C16H24N4O/c21-16(15-5-1-2-7-18-15)20-10-8-19(9-11-20)13-14-4-3-6-17-12-14/h3-4,6,12,15,18H,1-2,5,7-11,13H2
chemicalCompound:standardIn...
SHVTUGFWWFPRNZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...
O=C(C1CCCCN1)N2CCN(Cc3cccnc3)CC2
chemicalCompound:molecularF...
C16H24N4O
chemicalCompound:moleculeId
120
chemicalCompound:mwFreebase
288.388
chemicalCompound:alogp
0.492
chemicalCompound:hba
4
chemicalCompound:hbd
1
chemicalCompound:psa
48.47
chemicalCompound:rtb
3
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
1.35
chemicalCompound:acdLogD
-0.145
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
288.388
chemicalCompound:acdMostBpk...
9.131
chemicalCompound:chemblId
CHEMBL6346
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:100120
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:prefName
SCR01020
chemicalCompound:activity
activity:850749
,
activity:850750
,
activity:2214092