391840

Source:http://linkedlifedata.com/resource/chembl/compound/391840

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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/C29H54N2O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-30-28(38)31-29(21-18-25(32)33,22-19-26(34)35)23-20-27(36)37/h2-24H2,1H3,(H,32,33)(H,34,35)(H,36,37)(H2,30,31,38)
chemicalCompound:standardIn...	WUANDXOBWIITDH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCCCCCCCCCCCCCNC(=O)NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O
chemicalCompound:molecularF...	C29H54N2O7
chemicalCompound:moleculeId	391840
chemicalCompound:mwFreebase	542.748
chemicalCompound:alogp	7.122
chemicalCompound:hba	7
chemicalCompound:hbd	5
chemicalCompound:psa	153.03
chemicalCompound:rtb	27
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.107
chemicalCompound:acdLogP	7.147
chemicalCompound:acdLogD	1.415
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	542.748
chemicalCompound:chemblId	CHEMBL242964
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:491840
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:1944019, activity:1944024, activity:1944029, activity:1944034, activity:1944039, activity:1944044, activity:1944049, activity:1944054, activity:1944059, activity:1944064, activity:1944069, activity:2417773, activity:2417789, activity:2417805, activity:2417821, activity:2417837, activity:2417852, activity:2417869, activity:2417884, activity:2417906, activity:2417920