784326

Source:http://linkedlifedata.com/resource/chembl/compound/784326

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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/C28H26N4O5/c1-2-36-28(35)22-17-21-25(29-23-12-6-7-15-31(23)27(21)34)32(18-20-11-8-16-37-20)26(22)30-24(33)14-13-19-9-4-3-5-10-19/h3-7,9-10,12-15,17,20H,2,8,11,16,18H2,1H3/b14-13+,30-26?
chemicalCompound:standardIn...	KXZIXKYEEVRXDU-NMAZDXSJSA-N
chemicalCompound:canonicalS...	CCOC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(CC4CCCO4)C1=NC(=O)\C=C\c5ccccc5
chemicalCompound:molecularF...	C28H26N4O5
chemicalCompound:moleculeId	784326
chemicalCompound:mwFreebase	498.53
chemicalCompound:alogp	2.731
chemicalCompound:hba	8
chemicalCompound:hbd	0
chemicalCompound:psa	100.87
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	5.275
chemicalCompound:acdLogD	5.275
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	498.53
chemicalCompound:chemblId	CHEMBL1360442
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:884326
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:3703691, activity:4035810, activity:4124704, activity:4201108, activity:4326811, activity:4400809, activity:4459783, activity:4770029, activity:4820848, activity:4976762, activity:5025656, activity:5345609, activity:5756291, activity:5940383, activity:6472829, activity:6773800, activity:6861890, activity:6915363, activity:7194042, activity:7338837