575837

Source:http://linkedlifedata.com/resource/chembl/compound/575837

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C23H22FN3O5/c1-2-25-13-16(23(31)32)21(29)15-11-17(24)19(12-18(15)25)26-7-9-27(10-8-26)22(30)14-5-3-4-6-20(14)28/h3-6,11-13,28H,2,7-10H2,1H3,(H,31,32)
chemicalCompound:standardIn...	SEZDCOKKNLHZSZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCN(CC3)C(=O)c4ccccc4O
chemicalCompound:molecularF...	C23H22FN3O5
chemicalCompound:moleculeId	575837
chemicalCompound:mwFreebase	439.436
chemicalCompound:alogp	2.512
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	101.39
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.481
chemicalCompound:acdLogP	2.894
chemicalCompound:acdLogD	0.933
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	439.436
chemicalCompound:acdMostBpk...	0.801
chemicalCompound:chemblId	CHEMBL584679
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:675837
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:2999127, activity:2999157, activity:2999187, activity:2999217, activity:2999247, activity:2999277, activity:2999317, activity:2999347