690213

Source:http://linkedlifedata.com/resource/chembl/compound/690213

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C25H26FN5O2/c1-5-27-25-29-21(24(32)31(25)17(3)19-7-9-20(26)10-8-19)12-18-6-11-22(23(13-18)33-4)30-14-16(2)28-15-30/h6-15,17H,5H2,1-4H3,(H,27,29)/b21-12-/t17-/m1/s1
chemicalCompound:standardIn...	SDPVRVXJUYISFJ-CTPANLQCSA-N
chemicalCompound:canonicalS...	CCNC1=N\C(=C/c2ccc(c(OC)c2)n3cnc(C)c3)\C(=O)N1[C@H](C)c4ccc(F)cc4
chemicalCompound:molecularF...	C25H26FN5O2
chemicalCompound:moleculeId	690213
chemicalCompound:mwFreebase	447.505
chemicalCompound:alogp	3.654
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	71.75
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.772
chemicalCompound:acdLogD	3.767
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	447.505
chemicalCompound:acdMostBpk...	5.538
chemicalCompound:chemblId	CHEMBL1223763
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:790213
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:3413591, activity:3413592, activity:3413636, activity:3413637, activity:3413638, activity:3413648, activity:3413649, activity:3413651, activity:3413653