71911

Source:http://linkedlifedata.com/resource/chembl/compound/71911

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/C20H24F3NO4S/c1-5-19(25,6-2)13(3)28-18-17(11-15(12-24-18)20(21,22)23)14-7-9-16(10-8-14)29(4,26)27/h7-13,25H,5-6H2,1-4H3/t13-/m0/s1
chemicalCompound:standardIn...	FTOCEOATMKZMBD-ZDUSSCGKSA-N
chemicalCompound:canonicalS...	CCC(O)(CC)[C@H](C)Oc1ncc(cc1c2ccc(cc2)S(=O)(=O)C)C(F)(F)F
chemicalCompound:molecularF...	C20 H24 F3 N O4 S
chemicalCompound:moleculeId	71911
chemicalCompound:mwFreebase	431.469
chemicalCompound:alogp	4.656
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	84.87
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.484
chemicalCompound:acdLogD	4.484
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	431.469
chemicalCompound:acdMostBpk...	0.447
chemicalCompound:chemblId	CHEMBL48073
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:171911
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:501251, activity:501252, activity:501253, activity:501254, activity:501255, activity:501256, activity:501257