188917

Source:http://linkedlifedata.com/resource/chembl/compound/188917

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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/C31H33FN4O4/c32-26-17-23(10-13-25(26)20-5-2-1-3-6-20)27(18-29(38)39)35-28(37)19-36-16-14-22(31(36)40)9-12-24-11-8-21-7-4-15-33-30(21)34-24/h1-3,5-6,8,10-11,13,17,22,27H,4,7,9,12,14-16,18-19H2,(H,33,34)(H,35,37)(H,38,39)/t22-,27-/m0/s1
chemicalCompound:standardIn...	LHGHYRBRMNOGPF-CUNXSJBXSA-N
chemicalCompound:canonicalS...	OC(=O)C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3CCCNc3n2)C1=O)c4ccc(c(F)c4)c5ccccc5
chemicalCompound:molecularF...	C31 H33 F N4 O4
chemicalCompound:moleculeId	188917
chemicalCompound:mwFreebase	544.617
chemicalCompound:alogp	4.102
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	111.63
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.086
chemicalCompound:acdLogP	1.504
chemicalCompound:acdLogD	-1.334
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	544.617
chemicalCompound:acdMostBpk...	7.088
chemicalCompound:chemblId	CHEMBL432980
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:288917
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:910146, activity:910147, activity:910148, activity:910149, activity:910150, activity:910151