1313416

Source:http://linkedlifedata.com/resource/chembl/compound/1313416

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/C22H25N5O3/c1-14-7-8-17-15(10-14)6-5-9-27(17)22-24-13-23-21(26-22)25-16-11-18(28-2)20(30-4)19(12-16)29-3/h7-8,10-13H,5-6,9H2,1-4H3,(H,23,24,25,26)
chemicalCompound:standardIn...	AQKQATGZIKRZMQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(Nc2ncnc(n2)N3CCCc4cc(C)ccc34)cc(OC)c1OC
chemicalCompound:molecularF...	C22H25N5O3
chemicalCompound:moleculeId	1313416
chemicalCompound:mwFreebase	407.466
chemicalCompound:alogp	5.261
chemicalCompound:hba	8
chemicalCompound:hbd	1
chemicalCompound:psa	81.63
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.898
chemicalCompound:acdLogD	3.898
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	407.466
chemicalCompound:acdMostBpk...	3.276
chemicalCompound:chemblId	CHEMBL1992125
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1413416
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:9507127, activity:9508106, activity:9515284, activity:9515380, activity:9515879, activity:9516106, activity:9520140, activity:9520843, activity:9523482, activity:9523863, activity:9528098, activity:9532122, activity:9533043, activity:9536872, activity:9548433, activity:9548879, activity:9552342, activity:9564819, activity:9565477, activity:9573824, activity:9574030, activity:9577209, activity:9578536, activity:9581335, activity:9581926, activity:9583343, activity:9584353, activity:9587375, activity:9587896, activity:9588526, activity:9590399, activity:9591800, activity:9592804, activity:9593001, activity:9595726, activity:9597131, activity:9599720, activity:9600002, activity:9601490, activity:9603097, activity:9604984, activity:9605635, activity:9611982, activity:9620796, activity:9623623, activity:9624174, activity:9625917, activity:9627725, activity:9630709, activity:9648116, activity:9652559, activity:9653157, activity:9657080, activity:9657609, activity:9661471, activity:9670157, activity:9682832, activity:9690413, activity:9698433, activity:9698948