170444

Source:http://linkedlifedata.com/resource/chembl/compound/170444

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:259561
chemicalCompound:standardIn...	InChI=1S/C28H34N2.2HI/c1(3-5-11-19-29-21-17-25-13-7-9-15-27(25)23-29)2-4-6-12-20-30-22-18-26-14-8-10-16-28(26)24-30;;/h7-10,13-18,21-24H,1-6,11-12,19-20H2;2*1H/q+2;;/p-2
chemicalCompound:standardIn...	WQHYHRSZTVBSDC-UHFFFAOYSA-L
chemicalCompound:canonicalS...	[I-].[I-].C(CCCCC[n+]1ccc2ccccc2c1)CCCC[n+]3ccc4ccccc4c3
chemicalCompound:molecularF...	C28H34I2N2
chemicalCompound:moleculeId	170444
chemicalCompound:mwFreebase	398.583
chemicalCompound:alogp	7.884
chemicalCompound:hba	0
chemicalCompound:hbd	0
chemicalCompound:psa	7.76
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	0.398
chemicalCompound:acdLogD	0.398
chemicalCompound:fullMwt	652.392
chemicalCompound:chemblId	CHEMBL105538
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:270444
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:767784, activity:767785, activity:2254671, activity:2704831, activity:3306828