1065032

Source:http://linkedlifedata.com/resource/chembl/compound/1065032

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:1065032_PBDNJ0804_OTHER
chemicalCompound:standardIn...	InChI=1S/C19H37NO5/c1-14-8-4-5-9-17(14)25-11-7-3-2-6-10-20-12-16(22)19(24)18(23)15(20)13-21/h14-19,21-24H,2-13H2,1H3/t14-,15-,16+,17?,18-,19-/m1/s1
chemicalCompound:standardIn...	WZFVMZSWZPZXLM-SVVWJLDDSA-N
chemicalCompound:canonicalS...	C[C@@H]1CCCCC1OCCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO
chemicalCompound:molecularF...	C19H37NO5
chemicalCompound:moleculeId	1065032
chemicalCompound:mwFreebase	359.501
chemicalCompound:alogp	1.697
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	93.39
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.721
chemicalCompound:acdLogP	2.358
chemicalCompound:acdLogD	2.216
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	359.501
chemicalCompound:acdMostBpk...	6.901
chemicalCompound:chemblId	CHEMBL1652120
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1165032
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:5147469, activity:5147480, activity:5147491, activity:5147500, activity:5147506, activity:5147512, activity:5147520, activity:5147537, activity:5147543, activity:5147549