550423

Source:http://linkedlifedata.com/resource/chembl/compound/550423

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:670340
chemicalCompound:standardIn...	InChI=1S/C22H26FN5OS.ClH/c23-18-8-5-7-17(20(18)24)22(29)25-10-3-4-11-27-12-14-28(15-13-27)21-16-6-1-2-9-19(16)30-26-21;/h1-2,5-9H,3-4,10-15,24H2,(H,25,29);1H
chemicalCompound:standardIn...	HUURBPZBVDKPRD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Nc1c(F)cccc1C(=O)NCCCCN2CCN(CC2)c3nsc4ccccc34
chemicalCompound:molecularF...	C22H27ClFN5OS
chemicalCompound:moleculeId	550423
chemicalCompound:mwFreebase	427.538
chemicalCompound:alogp	3.038
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	102.73
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.3
chemicalCompound:acdLogD	2.55
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	463.999
chemicalCompound:acdMostBpk...	8.254
chemicalCompound:chemblId	CHEMBL556788
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:650423
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:993493, activity:993494, activity:993495, activity:993496, activity:993497, activity:993498, activity:993499, activity:993500, activity:993501