89884

Source:http://linkedlifedata.com/resource/chembl/compound/89884

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/C21H26N6O2S/c22-21-24-18-12-16-2-1-9-26(20(16)13-19(18)25-21)14-15-3-5-17(6-4-15)30(28,29)27-10-7-23-8-11-27/h3-6,12-13,23H,1-2,7-11,14H2,(H3,22,24,25)
chemicalCompound:standardIn...	AIIOEPGQXVDMBH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)N5CCNCC5)c3cc2[nH]1
chemicalCompound:molecularF...	C21 H26 N6 O2 S
chemicalCompound:moleculeId	89884
chemicalCompound:mwFreebase	426.535
chemicalCompound:alogp	1.955
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	115.73
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.781
chemicalCompound:acdLogP	0.38
chemicalCompound:acdLogD	-1.136
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	426.535
chemicalCompound:acdMostBpk...	8.051
chemicalCompound:chemblId	CHEMBL56662
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:189884
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:638366, activity:638367, activity:638368, activity:638369, activity:638370, activity:638371, activity:638372, activity:650450, activity:650451, activity:650452, activity:650453, activity:650454, activity:650455, activity:650456