95240

Source:http://linkedlifedata.com/resource/chembl/compound/95240

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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/C22H21N3O2/c23-15-16-5-7-18(8-6-16)22(27)24-13-11-19(12-14-24)25-20-4-2-1-3-17(20)9-10-21(25)26/h1-8,19H,9-14H2
chemicalCompound:standardIn...	FHSZPBQMZOOACK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(N1CCC(CC1)N2C(=O)CCc3ccccc23)c4ccc(cc4)C#N
chemicalCompound:molecularF...	C22 H21 N3 O2
chemicalCompound:moleculeId	95240
chemicalCompound:mwFreebase	359.421
chemicalCompound:alogp	2.395
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	64.41
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.657
chemicalCompound:acdLogD	2.657
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	359.421
chemicalCompound:acdMostBpk...	1
chemicalCompound:chemblId	CHEMBL293922
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:195240
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:1303700, activity:1303701