477850

Source:http://linkedlifedata.com/resource/chembl/compound/477850

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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/C21H30IN5O2/c1-14(2)15-11-18(28-3)16(22)12-17(15)29-19-13-25-21(26-20(19)23)24-7-10-27-8-5-4-6-9-27/h11-14H,4-10H2,1-3H3,(H3,23,24,25,26)
chemicalCompound:standardIn...	QWGYVISNASORKE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(C(C)C)c(Oc2cnc(NCCN3CCCCC3)nc2N)cc1I
chemicalCompound:molecularF...	C21H30IN5O2
chemicalCompound:moleculeId	477850
chemicalCompound:mwFreebase	511.4
chemicalCompound:alogp	4.545
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	85.53
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.333
chemicalCompound:acdLogD	3.735
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	511.4
chemicalCompound:acdMostBpk...	8.931
chemicalCompound:chemblId	CHEMBL523000
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:577850
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:2271886, activity:2271914