15654

Source:http://linkedlifedata.com/resource/chembl/compound/15654

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/C21H26FN3O3/c1-12(2)23-9-13-5-6-24(10-13)19-8-18-15(7-17(19)22)20(26)16(21(27)28)11-25(18)14-3-4-14/h7-8,11-14,23H,3-6,9-10H2,1-2H3,(H,27,28)
chemicalCompound:standardIn...	RILZGKZVARWTMN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)NCC1CCN(C1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)C4CC4
chemicalCompound:molecularF...	C21 H26 F N3 O3
chemicalCompound:moleculeId	15654
chemicalCompound:mwFreebase	387.448
chemicalCompound:alogp	-0.262
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	72.88
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.424
chemicalCompound:acdLogP	3.467
chemicalCompound:acdLogD	0.942
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	387.448
chemicalCompound:acdMostBpk...	10.449
chemicalCompound:chemblId	CHEMBL277730
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:115654
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:35022, activity:296329, activity:296330, activity:296331, activity:296332, activity:296333, activity:296334, activity:296335