193014

Source:http://linkedlifedata.com/resource/chembl/compound/193014

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/C24H29N3O4/c28-22(6-2-1-5-19-10-9-17-4-3-12-25-23(17)27-19)26-15-20(24(29)30)18-8-7-16-11-13-31-21(16)14-18/h7-10,14,20H,1-6,11-13,15H2,(H,25,27)(H,26,28)(H,29,30)
chemicalCompound:standardIn...	ANCHZQJTSKHDFM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)C(CNC(=O)CCCCc1ccc2CCCNc2n1)c3ccc4CCOc4c3
chemicalCompound:molecularF...	C24 H29 N3 O4
chemicalCompound:moleculeId	193014
chemicalCompound:mwFreebase	423.505
chemicalCompound:alogp	3.459
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	100.55
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.849
chemicalCompound:acdLogP	2.708
chemicalCompound:acdLogD	-0.153
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	423.505
chemicalCompound:acdMostBpk...	7.168
chemicalCompound:chemblId	CHEMBL331132
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:293014
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:494396, activity:494397, activity:494398, activity:494399