744495

Source:http://linkedlifedata.com/resource/chembl/compound/744495

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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/C21H25N3O4/c1-15-10-16(2)12-18(11-15)28-14-21(27)24-23-20(26)9-8-19(25)22-13-17-6-4-3-5-7-17/h3-7,10-12H,8-9,13-14H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)
chemicalCompound:standardIn...	GQESQARETNLLMG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(C)cc(OCC(=O)NNC(=O)CCC(=O)NCc2ccccc2)c1
chemicalCompound:molecularF...	C21H25N3O4
chemicalCompound:moleculeId	744495
chemicalCompound:mwFreebase	383.441
chemicalCompound:alogp	2.022
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	96.53
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.498
chemicalCompound:acdLogP	2.661
chemicalCompound:acdLogD	2.661
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	383.441
chemicalCompound:chemblId	CHEMBL1320611
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:844495
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:4623642, activity:4746886, activity:6511147, activity:6598051, activity:7076398, activity:7415821