553538

Source:http://linkedlifedata.com/resource/chembl/compound/553538

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:233899
chemicalCompound:standardIn...	InChI=1S/C21H28NO3.ClH/c1-7-22(8-2,9-3)12-18-15(6)24-21-14(5)20-16(11-17(18)21)13(4)10-19(23)25-20;/h10-11H,7-9,12H2,1-6H3;1H/q+1;/p-1
chemicalCompound:standardIn...	MMXITINVDYBCKZ-UHFFFAOYSA-M
chemicalCompound:canonicalS...	[Cl-].CC[N+](CC)(CC)Cc1c(C)oc2c(C)c3OC(=O)C=C(C)c3cc12
chemicalCompound:molecularF...	C21H28ClNO3
chemicalCompound:moleculeId	553538
chemicalCompound:mwFreebase	342.452
chemicalCompound:alogp	3.046
chemicalCompound:hba	0
chemicalCompound:hbd	5
chemicalCompound:psa	39.44
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-1.176
chemicalCompound:acdLogD	-1.176
chemicalCompound:fullMwt	377.905
chemicalCompound:chemblId	CHEMBL539871
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:653538
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:827388, activity:827389, activity:827390, activity:827391, activity:827392