763789

Source:http://linkedlifedata.com/resource/chembl/compound/763789

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/C22H22N2O3/c1-3-27-22(26)20(16(2)25)15-17-9-11-19(12-10-17)24-14-13-21(23-24)18-7-5-4-6-8-18/h4-12,15H,3,13-14H2,1-2H3/b20-15+
chemicalCompound:standardIn...	MOICTNVFTWFQIG-HMMYKYKNSA-N
chemicalCompound:canonicalS...	CCOC(=O)\C(=C\c1ccc(cc1)N2CCC(=N2)c3ccccc3)\C(=O)C
chemicalCompound:molecularF...	C22H22N2O3
chemicalCompound:moleculeId	763789
chemicalCompound:mwFreebase	362.422
chemicalCompound:alogp	3.931
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	58.97
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.473
chemicalCompound:acdLogD	2.473
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	362.422
chemicalCompound:acdMostBpk...	0.135
chemicalCompound:chemblId	CHEMBL1339905
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:863789
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:3619953, activity:3769926, activity:3803187, activity:3811306, activity:3836067, activity:3870201, activity:3942987, activity:3954173, activity:4007210, activity:4011916, activity:4198173, activity:4744179, activity:4847479, activity:5002919, activity:5425353, activity:5502919, activity:5556648, activity:5589214, activity:5672826, activity:5891548, activity:6448303, activity:6478492, activity:6597125, activity:6734107, activity:6750870, activity:7015131, activity:7044283, activity:7060424, activity:7192127, activity:7229537, activity:7341603, activity:10602977