95481

Source:http://linkedlifedata.com/resource/chembl/compound/95481

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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/C22H24N2O2/c1-16-5-4-7-18(15-16)22(26)23-13-11-19(12-14-23)24-20-8-3-2-6-17(20)9-10-21(24)25/h2-8,15,19H,9-14H2,1H3
chemicalCompound:standardIn...	ISICIJTYDOIXSR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cccc(c1)C(=O)N2CCC(CC2)N3C(=O)CCc4ccccc34
chemicalCompound:molecularF...	C22 H24 N2 O2
chemicalCompound:moleculeId	95481
chemicalCompound:mwFreebase	348.438
chemicalCompound:alogp	3.002
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	40.62
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.503
chemicalCompound:acdLogD	3.503
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	348.438
chemicalCompound:acdMostBpk...	1.018
chemicalCompound:chemblId	CHEMBL60262
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:195481
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:1287336, activity:1287337