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672134
Source:
http://linkedlifedata.com/resource/chembl/compound/672134
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Subject
(
33
)
Predicate
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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/C19H22N4O/c1-2-3-4-5-13-6-8-14(9-7-13)18(24)21-15-10-11-16-17(12-15)23-19(20)22-16/h6-12H,2-5H2,1H3,(H,21,24)(H3,20,22,23)
chemicalCompound:standardIn...
LDGSVEMXUFCHOY-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CCCCCc1ccc(cc1)C(=O)Nc2ccc3[nH]c(N)nc3c2
chemicalCompound:molecularF...
C19H22N4O
chemicalCompound:moleculeId
672134
chemicalCompound:mwFreebase
322.404
chemicalCompound:alogp
4.236
chemicalCompound:hba
3
chemicalCompound:hbd
3
chemicalCompound:psa
83.8
chemicalCompound:rtb
6
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
10.635
chemicalCompound:acdLogP
4.26
chemicalCompound:acdLogD
4.148
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
322.404
chemicalCompound:acdMostBpk...
6.794
chemicalCompound:chemblId
CHEMBL1198184
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:772134
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No