690023

Source:http://linkedlifedata.com/resource/chembl/compound/690023

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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/C27H28FN5O2/c1-17-15-32(16-30-17)24-11-6-20(13-25(24)35-3)12-23-26(34)33(27(31-23)29-14-19-4-5-19)18(2)21-7-9-22(28)10-8-21/h6-13,15-16,18-19H,4-5,14H2,1-3H3,(H,29,31)/b23-12-/t18-/m0/s1
chemicalCompound:standardIn...	KVCWAGMVKMTMTD-NVIPHDJISA-N
chemicalCompound:canonicalS...	COc1cc(\C=C\2/N=C(NCC3CC3)N([C@@H](C)c4ccc(F)cc4)C2=O)ccc1n5cnc(C)c5
chemicalCompound:molecularF...	C27H28FN5O2
chemicalCompound:moleculeId	690023
chemicalCompound:mwFreebase	473.542
chemicalCompound:alogp	4.125
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	71.75
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.163
chemicalCompound:acdLogD	4.158
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	473.542
chemicalCompound:acdMostBpk...	5.538
chemicalCompound:chemblId	CHEMBL1223575
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:790023
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:3413571, activity:3413572