500208

Source:http://linkedlifedata.com/resource/chembl/compound/500208

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/C36H28N2O2/c1-37-31-25-15-14-24-30(31)36(34(37)40)35(28-20-10-4-11-21-28,29-22-12-5-13-23-29)33(39)38(36)32(26-16-6-2-7-17-26)27-18-8-3-9-19-27/h2-25,32H,1H3
chemicalCompound:standardIn...	YQUPFTKKYFVOJZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1C(=O)C2(N(C(c3ccccc3)c4ccccc4)C(=O)C2(c5ccccc5)c6ccccc6)c7ccccc17
chemicalCompound:molecularF...	C36H28N2O2
chemicalCompound:moleculeId	500208
chemicalCompound:mwFreebase	520.62
chemicalCompound:alogp	6.347
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	40.62
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.052
chemicalCompound:acdLogD	5.052
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	520.62
chemicalCompound:chemblId	CHEMBL486689
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:600208
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:2307620, activity:2307637, activity:2307646, activity:2307655