1027418

Source:http://linkedlifedata.com/resource/chembl/compound/1027418

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:453827
chemicalCompound:standardIn...	InChI=1S/C18H29N3O5.ClH/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7;/h8-10,15,19,22H,11H2,1-7H3;1H
chemicalCompound:standardIn...	LBARATORRVNNQM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C
chemicalCompound:molecularF...	C18H30ClN3O5
chemicalCompound:moleculeId	1027418
chemicalCompound:mwFreebase	367.44
chemicalCompound:alogp	1.727
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	91.33
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.695
chemicalCompound:acdLogP	1.043
chemicalCompound:acdLogD	-1.05
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	403.901
chemicalCompound:acdMostBpk...	9.575
chemicalCompound:chemblId	CHEMBL1603534
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1127418
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:59167
chemicalCompound:activity	activity:4206066, activity:4706092, activity:5029293, activity:6615370