414256

Source:http://linkedlifedata.com/resource/chembl/compound/414256

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:680174
chemicalCompound:standardIn...	InChI=1S/C30H35FN2O5.Na/c1-18(2)33-25(15-14-23(34)16-24(35)17-26(36)37)27(20-8-10-21(31)11-9-20)28(19-6-4-3-5-7-19)29(33)30(38)32-22-12-13-22;/h3-11,18,22-24,34-35H,12-17H2,1-2H3,(H,32,38)(H,36,37);/q;+1/p-1/t23-,24-;/m1./s1
chemicalCompound:standardIn...	OYBOGUWMILTFID-BNUOYOMZSA-M
chemicalCompound:canonicalS...	[Na+].CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(c2ccc(F)cc2)c(c3ccccc3)c1C(=O)NC4CC4
chemicalCompound:molecularF...	C30 H34 F N2 O5 . Na
chemicalCompound:moleculeId	414256
chemicalCompound:mwFreebase	522.608
chemicalCompound:alogp	4.44
chemicalCompound:hba	5
chemicalCompound:hbd	4
chemicalCompound:psa	111.79
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.306
chemicalCompound:acdLogP	3.024
chemicalCompound:acdLogD	-0.064
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	544.59
chemicalCompound:chemblId	CHEMBL250707
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:514256
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:2036418, activity:2036448, activity:2036478, activity:2036508, activity:2036536