15720

Source:http://linkedlifedata.com/resource/chembl/compound/15720

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C19H27N3O2/c1-5-17(22-11-10-20-14-22)16-8-6-7-9-18(16)24-13-15(23)12-21-19(2,3)4/h5-11,14-15,21,23H,12-13H2,1-4H3/b17-5+
chemicalCompound:standardIn...	NJUGSWVOMJYGDX-YAXRCOADSA-N
chemicalCompound:canonicalS...	C\C=C(/c1ccccc1OCC(O)CNC(C)(C)C)\n2ccnc2
chemicalCompound:molecularF...	C19 H27 N3 O2
chemicalCompound:moleculeId	15720
chemicalCompound:mwFreebase	329.437
chemicalCompound:alogp	2.165
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	59.31
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.861
chemicalCompound:acdLogP	2.808
chemicalCompound:acdLogD	0.612
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	329.437
chemicalCompound:acdMostBpk...	9.501
chemicalCompound:chemblId	CHEMBL15638
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:115720
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:103009, activity:103010, activity:103011