35985

Source:http://linkedlifedata.com/resource/chembl/compound/35985

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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/C15H22N2O7/c1-3-4-5-10(19)24-12-11(20)9(7-18)23-14(12)17-6-8(2)13(21)16-15(17)22/h6,9,11-12,14,18,20H,3-5,7H2,1-2H3,(H,16,21,22)
chemicalCompound:standardIn...	VXMLRGBEJAETPQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCC(=O)OC1C(O)C(CO)OC1N2C=C(C)C(=O)NC2=O
chemicalCompound:molecularF...	C15 H22 N2 O7
chemicalCompound:moleculeId	35985
chemicalCompound:mwFreebase	342.344
chemicalCompound:alogp	-0.046
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	125.4
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.551
chemicalCompound:acdLogP	1.43
chemicalCompound:acdLogD	1.426
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	342.344
chemicalCompound:chemblId	CHEMBL280754
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:135985
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:1102281, activity:1102282, activity:1102283, activity:1102284, activity:1102285