317955

Source:http://linkedlifedata.com/resource/chembl/compound/317955

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:317955_PD-173074_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C28H41N7O3/c1-8-35(9-2)13-11-10-12-29-26-30-18-20-16-23(19-14-21(37-6)17-22(15-19)38-7)25(31-24(20)32-26)33-27(36)34-28(3,4)5/h14-18H,8-13H2,1-7H3,(H3,29,30,31,32,33,34,36)
chemicalCompound:standardIn...	DXCUKNQANPLTEJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)c3cc(OC)cc(OC)c3
chemicalCompound:molecularF...	C28H41N7O3
chemicalCompound:moleculeId	317955
chemicalCompound:mwFreebase	523.67
chemicalCompound:alogp	3.841
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	113.53
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.119
chemicalCompound:acdLogP	5.106
chemicalCompound:acdLogD	2.327
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	523.67
chemicalCompound:acdMostBpk...	10.47
chemicalCompound:chemblId	CHEMBL189584
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:417955
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	PD-173074
chemicalCompound:activity	activity:1489910, activity:1489911, activity:1489912, activity:1489913, activity:1490019, activity:1490020, activity:1490021, activity:1490022, activity:1490023, activity:1490024, activity:2137258, activity:2137259, activity:2137260, activity:2206957, activity:2206958, activity:2206959, activity:2206960, activity:2206961, activity:2206962, activity:2206963, activity:2206964, activity:2206965, activity:2206966, activity:2210030, activity:2210031, activity:2210032, activity:2210033, activity:2210034, activity:2210035, activity:2210036, activity:2210037, activity:2210038, activity:2210039, activity:2210040, activity:2210041, activity:2210042, activity:2210043, activity:2210044, activity:2210045, activity:2210046, activity:2210047, activity:2210048, activity:2210049, activity:2210050, activity:2210051, activity:2210052, activity:2210053, activity:2210054, activity:2210055, activity:2210056, activity:2210057, activity:2210058, activity:2210059, activity:2210060, activity:2210061, activity:2210062, activity:2210063, activity:2210064, activity:2210065, activity:2210066, activity:2210067, activity:2210068, activity:2210069, activity:2210070