877172

Source:http://linkedlifedata.com/resource/chembl/compound/877172

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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/C20H21N3O4/c1-12(22-13-8-10-21-11-9-13)16-19(27-3)18(26-2)15-7-5-4-6-14(15)17(23-16)20(24)25/h4-11,17,23H,1-3H3,(H,21,22)(H,24,25)/b16-12-
chemicalCompound:standardIn...	DGWOUMZJKNXNIN-VBKFSLOCSA-N
chemicalCompound:canonicalS...	COC1=C(OC)c2ccccc2C(N/C/1=C(/C)\Nc3ccncc3)C(=O)O
chemicalCompound:molecularF...	C20H21N3O4
chemicalCompound:moleculeId	877172
chemicalCompound:mwFreebase	367.398
chemicalCompound:alogp	0.969
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	92.71
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.193
chemicalCompound:acdLogP	2.752
chemicalCompound:acdLogD	-0.242
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	367.398
chemicalCompound:acdMostBpk...	7.05
chemicalCompound:chemblId	CHEMBL1453288
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:977172
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:4139642, activity:4924921, activity:5603122, activity:6683121, activity:7078665