709691

Source:http://linkedlifedata.com/resource/chembl/compound/709691

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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:1040993
chemicalCompound:standardIn...	InChI=1S/C17H15NO3.C2HF3O2/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12;3-2(4,5)1(6)7/h1-4,7,15-16,18-19H,5-6,8H2;(H,6,7)/t15-,16-;/m1./s1
chemicalCompound:standardIn...	HPNXOYSRHLFPGQ-QNBGGDODSA-N
chemicalCompound:canonicalS...	O[C@H]1[C@@H]2NCCc3cc4OCOc4c(c5ccccc15)c23.OC(=O)C(F)(F)F
chemicalCompound:molecularF...	C19H16F3NO5
chemicalCompound:moleculeId	709691
chemicalCompound:mwFreebase	281.306
chemicalCompound:alogp	2
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	50.72
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.48
chemicalCompound:acdLogP	3.709
chemicalCompound:acdLogD	3.28
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	395.329
chemicalCompound:acdMostBpk...	7.573
chemicalCompound:chemblId	CHEMBL1270449
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:809691
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:3518380