754399

Source:http://linkedlifedata.com/resource/chembl/compound/754399

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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/C22H23N3O5/c1-14-10-15-6-4-5-7-17(15)22(28)25(14)13-21(27)23-12-20(26)24-16-8-9-18(29-2)19(11-16)30-3/h4-11H,12-13H2,1-3H3,(H,23,27)(H,24,26)
chemicalCompound:standardIn...	QPIXNQGFLNEWAK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(NC(=O)CNC(=O)CN2C(=Cc3ccccc3C2=O)C)cc1OC
chemicalCompound:molecularF...	C22H23N3O5
chemicalCompound:moleculeId	754399
chemicalCompound:mwFreebase	409.435
chemicalCompound:alogp	1.109
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	96.97
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.523
chemicalCompound:acdLogP	2.205
chemicalCompound:acdLogD	2.205
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	409.435
chemicalCompound:acdMostBpk...	0.973
chemicalCompound:chemblId	CHEMBL1330515
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:854399
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:3707150, activity:3756908, activity:3866683, activity:4023174, activity:4031507, activity:4886693, activity:4922810, activity:5432403, activity:5881509, activity:6535319, activity:6635270, activity:6913199, activity:7136705, activity:7339735, activity:7433141