352166

Source:http://linkedlifedata.com/resource/chembl/compound/352166

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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/C27H35IN4O4/c1-22(21-33)30-26(34)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-19-36-27(35)24-20-23(28)17-18-25(24)31-32-29/h2,4-5,7-8,10-11,13,17-18,20,22,33H,3,6,9,12,14-16,19,21H2,1H3,(H,30,34)/b4-2-,7-5-,10-8-,13-11-/t22-/m1/s1
chemicalCompound:standardIn...	XOZSROHJXDJOTN-NXSKXAQUSA-N
chemicalCompound:canonicalS...	C[C@H](CO)NC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCOC(=O)c1cc(I)ccc1N=[N+]=[N-]
chemicalCompound:molecularF...	C27H35IN4O4
chemicalCompound:moleculeId	352166
chemicalCompound:mwFreebase	606.496
chemicalCompound:alogp	6.573
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	125.38
chemicalCompound:rtb	18
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	8.098
chemicalCompound:acdLogD	8.098
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	606.496
chemicalCompound:chemblId	CHEMBL208548
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:452166
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:1736755, activity:1736759, activity:2393092, activity:2393093, activity:2393094, activity:2393095, activity:2393096, activity:2393097, activity:2393098, activity:2393099, activity:2393114, activity:2393116, activity:2393118, activity:2393120, activity:2393122, activity:2393124, activity:2393126, activity:2393128, activity:2393130, activity:2393132, activity:2393134, activity:2393136, activity:2393138, activity:2393140, activity:2393142, activity:2393144, activity:2393146