1051317

Source:http://linkedlifedata.com/resource/chembl/compound/1051317

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:parent	chemicalCompound:79409
chemicalCompound:standardIn...	InChI=1S/2C17H17NO2/c21-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h22-6,13,19-20H,7-9H2,1H3/t2*13-/m00/s1
chemicalCompound:standardIn...	CFFNPVYFABROIZ-CHNGVTQJSA-N
chemicalCompound:canonicalS...	CN1CCc2cccc3c2[C@@H]1Cc4ccc(O)c(O)c34.CN5CCc6cccc7c6[C@@H]5Cc8ccc(O)c(O)c78
chemicalCompound:molecularF...	C34H34N2O4
chemicalCompound:moleculeId	1051317
chemicalCompound:mwFreebase	267.322
chemicalCompound:alogp	3.116
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	43.7
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.431
chemicalCompound:acdLogP	1.703
chemicalCompound:acdLogD	1.161
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	534.645
chemicalCompound:acdMostBpk...	7.881
chemicalCompound:chemblId	CHEMBL1628426
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1151317
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No