83018

Source:http://linkedlifedata.com/resource/chembl/compound/83018

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)
chemicalCompound:standardIn...	AQASGOHUMGAWJJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccccc1N2CCN(CCN3C(=O)Nc4c([nH]c5ccccc45)C3=O)CC2
chemicalCompound:molecularF...	C23 H25 N5 O3
chemicalCompound:moleculeId	83018
chemicalCompound:mwFreebase	419.476
chemicalCompound:alogp	3.107
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	80.91
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.018
chemicalCompound:acdLogP	3.674
chemicalCompound:acdLogD	3.481
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	419.476
chemicalCompound:acdMostBpk...	7.184
chemicalCompound:chemblId	CHEMBL301707
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:183018
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:1000145, activity:1000146, activity:1000147, activity:1000148, activity:1173773, activity:1173924, activity:1173925, activity:1173926, activity:1173927, activity:1499619, activity:1499620, activity:1499621, activity:1813596, activity:1813597, activity:1813598, activity:1813639, activity:1813644, activity:1813649, activity:3620457, activity:3688840, activity:3727919, activity:4162639, activity:4406195, activity:4468471, activity:4836921, activity:4957220, activity:5018379, activity:5025214, activity:5989751, activity:6002826, activity:6013819, activity:6057658, activity:6068287, activity:6264460, activity:6264461, activity:6264462, activity:6264484, activity:6264485, activity:6264486, activity:6336892, activity:6336893, activity:7552582