253629

Source:http://linkedlifedata.com/resource/chembl/compound/253629

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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/C21H22N2O5/c1-2-17-19(26)23(21(27)22-13-15-6-4-3-5-7-15)20(17)28-16-10-8-14(9-11-16)12-18(24)25/h3-11,17,20H,2,12-13H2,1H3,(H,22,27)(H,24,25)
chemicalCompound:standardIn...	FSGZUUBFTYAIOW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC1C(Oc2ccc(CC(=O)O)cc2)N(C(=O)NCc3ccccc3)C1=O
chemicalCompound:molecularF...	C21 H22 N2 O5
chemicalCompound:moleculeId	253629
chemicalCompound:mwFreebase	382.41
chemicalCompound:alogp	3.292
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	95.94
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.348
chemicalCompound:acdLogP	1.888
chemicalCompound:acdLogD	-1.085
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	382.41
chemicalCompound:chemblId	CHEMBL153536
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:353629
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:1185306, activity:1185307