405406

Source:http://linkedlifedata.com/resource/chembl/compound/405406

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/C24H35N3O4/c1-3-15-27(21(28)12-8-5-9-14-25)23-18(2)17-20(19-10-6-4-7-11-19)26(24(23)31)16-13-22(29)30/h4,6-7,10-11,20H,3,5,8-9,12-17,25H2,1-2H3,(H,29,30)
chemicalCompound:standardIn...	MJSZJOKVUNPGJV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCN(C(=O)CCCCCN)C1=C(C)CC(N(CCC(=O)O)C1=O)c2ccccc2
chemicalCompound:molecularF...	C24 H35 N3 O4
chemicalCompound:moleculeId	405406
chemicalCompound:mwFreebase	429.552
chemicalCompound:alogp	0
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	103.94
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.334
chemicalCompound:acdLogP	1.136
chemicalCompound:acdLogD	-1.365
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	429.552
chemicalCompound:acdMostBpk...	10.529
chemicalCompound:chemblId	CHEMBL239330
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:505406
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:1988632, activity:1988661