993881

Source:http://linkedlifedata.com/resource/chembl/compound/993881

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C24H26N6O3/c1-32-12-11-30-23(26-27-28-30)22(29-10-9-16-5-3-4-6-18(16)15-29)20-13-17-7-8-19(33-2)14-21(17)25-24(20)31/h3-8,13-14,22H,9-12,15H2,1-2H3,(H,25,31)
chemicalCompound:standardIn...	VBSZRWOKJYWBPJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COCCn1nnnc1C(N2CCc3ccccc3C2)c4cc5ccc(OC)cc5nc4O
chemicalCompound:molecularF...	C24H26N6O3
chemicalCompound:moleculeId	993881
chemicalCompound:mwFreebase	446.502
chemicalCompound:alogp	3.12
chemicalCompound:hba	8
chemicalCompound:hbd	1
chemicalCompound:psa	98.42
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.953
chemicalCompound:acdLogD	1.936
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	446.502
chemicalCompound:acdMostBpk...	9.049
chemicalCompound:chemblId	CHEMBL1569997
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1093881
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:3733588, activity:4182097, activity:4334892, activity:4366213, activity:4400457, activity:4600515, activity:4691811, activity:5540132, activity:5750342, activity:5869321, activity:5962630, activity:6460047, activity:6779785, activity:6847272, activity:6859426, activity:7101949