387672

Source:http://linkedlifedata.com/resource/chembl/compound/387672

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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/C20H30N2O4/c1-2-3-4-5-6-7-8-9-10-11-16-14-22(20(25)21-19(16)24)18-13-12-17(15-23)26-18/h14,17-18,23H,2-9,12-13,15H2,1H3,(H,21,24,25)/t17-,18+/m0/s1
chemicalCompound:standardIn...	YWERXFXLYHIPKH-ZWKOTPCHSA-N
chemicalCompound:canonicalS...	CCCCCCCCCC#CC1=CN([C@H]2CC[C@@H](CO)O2)C(=O)NC1=O
chemicalCompound:molecularF...	C20 H30 N2 O4
chemicalCompound:moleculeId	387672
chemicalCompound:mwFreebase	362.463
chemicalCompound:alogp	3.641
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	78.87
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.335
chemicalCompound:acdLogP	4.116
chemicalCompound:acdLogD	4.069
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	362.463
chemicalCompound:chemblId	CHEMBL230745
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:487672
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:1916584, activity:1916615, activity:1916646, activity:1916741, activity:1916770, activity:1916792, activity:1916820, activity:1916846, activity:1916868, activity:1916891, activity:1916912, activity:1917242, activity:1917261, activity:1917305, activity:1917445, activity:1917447, activity:1917450