353937

Source:http://linkedlifedata.com/resource/chembl/compound/353937

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/C27H21FN2O4/c1-2-34-27(33)19-7-4-3-6-18(19)22-20-8-5-13-29-24(20)25(31)23-21(22)15-30(26(23)32)14-16-9-11-17(28)12-10-16/h3-13,31H,2,14-15H2,1H3
chemicalCompound:standardIn...	XZBREEPFBNJFPK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)c1ccccc1c2c3CN(Cc4ccc(F)cc4)C(=O)c3c(O)c5ncccc25
chemicalCompound:molecularF...	C27H21FN2O4
chemicalCompound:moleculeId	353937
chemicalCompound:mwFreebase	456.465
chemicalCompound:alogp	4.453
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	79.73
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.564
chemicalCompound:acdLogD	2.203
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	456.465
chemicalCompound:acdMostBpk...	8.589
chemicalCompound:chemblId	CHEMBL378395
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:453937
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:1759008, activity:1759009, activity:1759010, activity:1759011, activity:2920556