171769

Source:http://linkedlifedata.com/resource/chembl/compound/171769

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/C20H17F3N4O3/c1-9-4-11(24)7-26(9)18-16(23)8-27-17(25-18)13(6-14(19(27)28)20(29)30)12-3-2-10(21)5-15(12)22/h2-3,5-6,8-9,11H,4,7,24H2,1H3,(H,29,30)/t9-,11-/m0/s1
chemicalCompound:standardIn...	SFFLDZRIMWVYDJ-ONGXEEELSA-N
chemicalCompound:canonicalS...	C[C@H]1C[C@H](N)CN1C2=NC3=C(C=C(C(=O)O)C(=O)N3C=C2F)c4ccc(F)cc4F
chemicalCompound:molecularF...	C20 H17 F3 N4 O3
chemicalCompound:moleculeId	171769
chemicalCompound:mwFreebase	418.369
chemicalCompound:alogp	-1.647
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	99.22
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.096
chemicalCompound:acdLogP	3.731
chemicalCompound:acdLogD	0.754
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	418.369
chemicalCompound:acdMostBpk...	12.609
chemicalCompound:chemblId	CHEMBL323376
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:271769
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:1277692, activity:1277693, activity:1277694, activity:1277695, activity:1277696, activity:1277697, activity:1277698, activity:1277699, activity:1277700, activity:1277701, activity:1277702, activity:1277703, activity:1277704