904234

Source:http://linkedlifedata.com/resource/chembl/compound/904234

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/C19H20N4O2/c1-13(24)20-8-9-21-19-17-11-15(6-7-18(17)22-12-23-19)14-4-3-5-16(10-14)25-2/h3-7,10-12H,8-9H2,1-2H3,(H,20,24)(H,21,22,23)
chemicalCompound:standardIn...	OZUNQLDSSBRZAF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cccc(c1)c2ccc3ncnc(NCCNC(=O)C)c3c2
chemicalCompound:molecularF...	C19H20N4O2
chemicalCompound:moleculeId	904234
chemicalCompound:mwFreebase	336.388
chemicalCompound:alogp	2.43
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	76.14
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.036
chemicalCompound:acdLogD	2.019
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	336.388
chemicalCompound:acdMostBpk...	5.948
chemicalCompound:chemblId	CHEMBL1480350
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1004234
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:3650774, activity:3690096, activity:3764165, activity:3799503, activity:3983992, activity:4015413, activity:4141096, activity:4699503, activity:4972378, activity:4978035, activity:5006089, activity:5074553, activity:5992973, activity:6031964, activity:6035291, activity:6047342, activity:6054368