508707

Source:http://linkedlifedata.com/resource/chembl/compound/508707

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:508707_CP-724714_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)/b5-4+
chemicalCompound:standardIn...	LLVZBTWPGQVVLW-SNAWJCMRSA-N
chemicalCompound:canonicalS...	COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
chemicalCompound:molecularF...	C27H27N5O3
chemicalCompound:moleculeId	508707
chemicalCompound:mwFreebase	469.535
chemicalCompound:alogp	3.987
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	98.26
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.947
chemicalCompound:acdLogP	2.71
chemicalCompound:acdLogD	2.699
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	469.535
chemicalCompound:acdMostBpk...	5.605
chemicalCompound:chemblId	CHEMBL483321
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:608707
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:2344055, activity:2890815, activity:2890853, activity:2890891, activity:2890929, activity:2890967, activity:2891005, activity:2891043, activity:2891081, activity:2891119, activity:2891157, activity:2891195, activity:2891233, activity:2891254, activity:2891292, activity:2891330, activity:2891368, activity:2891405, activity:2891443, activity:2891481, activity:2891519, activity:2891557, activity:2891595, activity:2891633, activity:2892053, activity:2892091, activity:2892129, activity:2892167, activity:2892205, activity:2892243, activity:2892281, activity:2892319, activity:2892357, activity:2892395, activity:2892433, activity:2892460, activity:2892511, activity:2892549, activity:2892587, activity:2892625, activity:2892663, activity:2892701, activity:2892739, activity:2892777, activity:2892815, activity:2892853, activity:2893249, activity:2893287, activity:2893325, activity:2893363, activity:2893401, activity:2893439, activity:2893477, activity:2893515, activity:2893553, activity:2893591, activity:2893629, activity:2893676, activity:2893714, activity:2894096, activity:2894134, activity:2894172, activity:2894210, activity:2894248, activity:2894286