92905

Source:http://linkedlifedata.com/resource/chembl/compound/92905

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/C23H27IN4O/c1-2-15-12-17-19(8-11-27-23(17)18(24)13-15)25-9-5-10-26-22-14-21(29)16-6-3-4-7-20(16)28-22/h3-4,6-7,12-14,19,25,27H,2,5,8-11H2,1H3,(H2,26,28,29)
chemicalCompound:standardIn...	HXYAFIKGAHUOHV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCc1cc(I)c2NCCC(NCCCNc3cc(O)c4ccccc4n3)c2c1
chemicalCompound:molecularF...	C23 H27 I N4 O
chemicalCompound:moleculeId	92905
chemicalCompound:mwFreebase	502.391
chemicalCompound:alogp	4.137
chemicalCompound:hba	5
chemicalCompound:hbd	4
chemicalCompound:psa	69.21
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.549
chemicalCompound:acdLogP	6.76
chemicalCompound:acdLogD	4.027
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	502.391
chemicalCompound:acdMostBpk...	11.158
chemicalCompound:chemblId	CHEMBL58615
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:192905
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:124733, activity:124734, activity:124735, activity:124736, activity:124737, activity:124738, activity:124739, activity:124740, activity:124741, activity:124742, activity:124743, activity:516225, activity:516226, activity:516227, activity:516228, activity:516229, activity:516230, activity:516231