798088

Source:http://linkedlifedata.com/resource/chembl/compound/798088

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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/C25H27N3O5/c1-16(2)32-19-8-6-18(7-9-19)22-21(23(29)20-10-5-17(3)33-20)24(30)25(31)28(22)13-4-12-27-14-11-26-15-27/h5-11,14-16,22,30H,4,12-13H2,1-3H3
chemicalCompound:standardIn...	AZXVHGLYSPMUHG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)Oc1ccc(cc1)C2N(CCCn3ccnc3)C(=O)C(=C2C(=O)c4oc(C)cc4)O
chemicalCompound:molecularF...	C25H27N3O5
chemicalCompound:moleculeId	798088
chemicalCompound:mwFreebase	449.499
chemicalCompound:alogp	2.44
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	97.8
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.5
chemicalCompound:acdLogP	4.012
chemicalCompound:acdLogD	1.315
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	449.499
chemicalCompound:acdMostBpk...	6.974
chemicalCompound:chemblId	CHEMBL1374204
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:898088
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:3656901, activity:4055611, activity:4183420, activity:4290436, activity:4369075, activity:4409021, activity:4469853, activity:4691921, activity:4860961, activity:4945158, activity:5015990, activity:5515674, activity:5851042, activity:5987979, activity:6013179, activity:6014165, activity:6025270, activity:6028377, activity:7113407