214753

Source:http://linkedlifedata.com/resource/chembl/compound/214753

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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/C30H31N3O6/c34-29-27-23-19-32(25-7-3-1-5-21(23)25)9-11-36-13-15-38-17-18-39-16-14-37-12-10-33-20-24(28(27)30(35)31-29)22-6-2-4-8-26(22)33/h1-8,19-20H,9-18H2,(H,31,34,35)
chemicalCompound:standardIn...	GQZYZXZIMKZCBF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C1NC(=O)C2=C1c3cn(CCOCCOCCOCCOCCn4cc2c5ccccc45)c6ccccc36
chemicalCompound:molecularF...	C30 H31 N3 O6
chemicalCompound:moleculeId	214753
chemicalCompound:mwFreebase	529.584
chemicalCompound:alogp	2.856
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	92.95
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.341
chemicalCompound:acdLogP	6.011
chemicalCompound:acdLogD	5.964
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	529.584
chemicalCompound:chemblId	CHEMBL336179
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:314753
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:923023, activity:923024