1292986

Source:http://linkedlifedata.com/resource/chembl/compound/1292986

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/C17H18N6O2/c1-5-6-23-16(24)14-15(21-17(23)25)20-13-8-11(18-9-22(3)4)10(2)7-12(13)19-14/h5,7-9H,1,6H2,2-4H3,(H,20,21,25)/b18-9+
chemicalCompound:standardIn...	XTHWNIFJCLSQMT-GIJQJNRQSA-N
chemicalCompound:canonicalS...	CN(C)\C=N\c1cc2nc3NC(=O)N(CC=C)C(=O)c3nc2cc1C
chemicalCompound:molecularF...	C17H18N6O2
chemicalCompound:moleculeId	1292986
chemicalCompound:mwFreebase	338.364
chemicalCompound:alogp	1.813
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	90.79
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.725
chemicalCompound:acdLogP	2.597
chemicalCompound:acdLogD	2.375
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	338.364
chemicalCompound:acdMostBpk...	5.691
chemicalCompound:chemblId	CHEMBL1971695
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1392986
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:3606453, activity:3618296, activity:3697399, activity:3740615, activity:3772035, activity:3785268, activity:4367580, activity:4378000, activity:4497471, activity:4598731, activity:5502051, activity:5701458, activity:5852350, activity:5853221, activity:5865820, activity:6454925, activity:6744061, activity:7219759, activity:8296505, activity:9715856