379101

Source:http://linkedlifedata.com/resource/chembl/compound/379101

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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/C27H35ClFN5O2/c28-24-5-1-2-6-25(24)30-26(35)21-32-15-19-34(20-16-32)27(36)7-3-4-12-31-13-17-33(18-14-31)23-10-8-22(29)9-11-23/h1-2,5-6,8-11H,3-4,7,12-21H2,(H,30,35)
chemicalCompound:standardIn...	AQUUACUTDVWBJA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccc(cc1)N2CCN(CCCCC(=O)N3CCN(CC(=O)Nc4ccccc4Cl)CC3)CC2
chemicalCompound:molecularF...	C27 H35 Cl F N5 O2
chemicalCompound:moleculeId	379101
chemicalCompound:mwFreebase	516.05
chemicalCompound:alogp	3.704
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	59.13
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.679
chemicalCompound:acdLogP	3.746
chemicalCompound:acdLogD	3.393
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	516.05
chemicalCompound:acdMostBpk...	7.929
chemicalCompound:chemblId	CHEMBL376788
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:479101
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:1872025