477960

Source:http://linkedlifedata.com/resource/chembl/compound/477960

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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/C20H28IN5O4S/c1-12(2)14-9-17(29-3)15(21)10-16(14)30-18-11-23-20(25-19(18)22)24-13-5-7-26(8-6-13)31(4,27)28/h9-13H,5-8H2,1-4H3,(H3,22,23,24,25)
chemicalCompound:standardIn...	RQMPLNBPKOBZCO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(C(C)C)c(Oc2cnc(NC3CCN(CC3)S(=O)(=O)C)nc2N)cc1I
chemicalCompound:molecularF...	C20H28IN5O4S
chemicalCompound:moleculeId	477960
chemicalCompound:mwFreebase	561.437
chemicalCompound:alogp	2.65
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	128.04
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.294
chemicalCompound:acdLogD	4.21
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	561.437
chemicalCompound:acdMostBpk...	6.728
chemicalCompound:chemblId	CHEMBL492299
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:577960
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:2271891, activity:2271919