690022

Source:http://linkedlifedata.com/resource/chembl/compound/690022

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/C26H26FN5O2/c1-16-14-31(15-28-16)23-11-4-18(13-24(23)34-3)12-22-25(33)32(26(30-22)29-21-9-10-21)17(2)19-5-7-20(27)8-6-19/h4-8,11-15,17,21H,9-10H2,1-3H3,(H,29,30)/b22-12-/t17-/m0/s1
chemicalCompound:standardIn...	IQSMIRXXGWOMKC-SLCIXIPPSA-N
chemicalCompound:canonicalS...	COc1cc(\C=C\2/N=C(NC3CC3)N([C@@H](C)c4ccc(F)cc4)C2=O)ccc1n5cnc(C)c5
chemicalCompound:molecularF...	C26H26FN5O2
chemicalCompound:moleculeId	690022
chemicalCompound:mwFreebase	459.515
chemicalCompound:alogp	3.795
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	71.75
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.654
chemicalCompound:acdLogD	3.648
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	459.515
chemicalCompound:acdMostBpk...	5.538
chemicalCompound:chemblId	CHEMBL1223574
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:790022
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:3413569, activity:3413570