368909

Source:http://linkedlifedata.com/resource/chembl/compound/368909

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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/C27H27ClFN7O2/c28-22-10-19(2-3-23(22)29)35-27-18(13-30)14-32-24-12-26(38-7-1-4-36-5-8-37-9-6-36)25(11-21(24)27)33-16-20-15-31-17-34-20/h2-3,10-12,14-15,17,33H,1,4-9,16H2,(H,31,34)(H,32,35)
chemicalCompound:standardIn...	FCBPMQZZBISZTL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccc(Nc2c(cnc3cc(OCCCN4CCOCC4)c(NCc5c[nH]cn5)cc23)C#N)cc1Cl
chemicalCompound:molecularF...	C27 H27 Cl F N7 O2
chemicalCompound:moleculeId	368909
chemicalCompound:mwFreebase	536
chemicalCompound:alogp	3.682
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	111.12
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.732
chemicalCompound:acdLogP	1.769
chemicalCompound:acdLogD	1.467
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	536
chemicalCompound:acdMostBpk...	7.042
chemicalCompound:chemblId	CHEMBL223877
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:468909
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:1810214