320111

Source:http://linkedlifedata.com/resource/chembl/compound/320111

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/C13H12F5O6P/c14-8-6(9(15)11(17)12(18)10(8)16)4-25(23,24)3-5(13(21)22)1-2-7(19)20/h5H,1-4H2,(H,19,20)(H,21,22)(H,23,24)/t5-/m0/s1
chemicalCompound:standardIn...	SVAHMQCUSNJPRX-YFKPBYRVSA-N
chemicalCompound:canonicalS...	OC(=O)CC[C@@H](CP(=O)(O)Cc1c(F)c(F)c(F)c(F)c1F)C(=O)O
chemicalCompound:molecularF...	C13 H12 F5 O6 P
chemicalCompound:moleculeId	320111
chemicalCompound:mwFreebase	390.197
chemicalCompound:alogp	2.048
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	121.71
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.249
chemicalCompound:acdLogP	0.483
chemicalCompound:acdLogD	-5.247
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	390.197
chemicalCompound:chemblId	CHEMBL190767
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:420111
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:1499300, activity:1499301