997122

Source:http://linkedlifedata.com/resource/chembl/compound/997122

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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/C21H17N3O5/c1-28-13-7-8-18(29-2)17(10-13)24-20(26)15(19(25)23-21(24)27)9-12-11-22-16-6-4-3-5-14(12)16/h3-11,22H,1-2H3,(H,23,25,27)/b15-9+
chemicalCompound:standardIn...	VQWOIUNRBXMAHI-OQLLNIDSSA-N
chemicalCompound:canonicalS...	COc1ccc(OC)c(c1)N2C(=O)NC(=O)\C(=C/c3c[nH]c4ccccc34)\C2=O
chemicalCompound:molecularF...	C21H17N3O5
chemicalCompound:moleculeId	997122
chemicalCompound:mwFreebase	391.377
chemicalCompound:alogp	2.907
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	100.72
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.687
chemicalCompound:acdLogP	2.498
chemicalCompound:acdLogD	2.327
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	391.377
chemicalCompound:chemblId	CHEMBL1573238
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1097122
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:4291221, activity:4356933, activity:4373291, activity:4576890, activity:4879220, activity:5021978, activity:5465589, activity:5541244, activity:5613388, activity:6546138, activity:6764792, activity:6839198, activity:7045879, activity:7291349, activity:7377843, activity:7520358, activity:9833917