323447

Source:http://linkedlifedata.com/resource/chembl/compound/323447

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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/C27H29FN2O/c1-29-15-12-20(13-16-29)19-2-4-21(5-3-19)27-26-11-10-25(31)18-22(26)14-17-30(27)24-8-6-23(28)7-9-24/h2-11,18,20,27,31H,12-17H2,1H3
chemicalCompound:standardIn...	CSCALARMRWAOKB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCC(CC1)c2ccc(cc2)C3N(CCc4cc(O)ccc34)c5ccc(F)cc5
chemicalCompound:molecularF...	C27 H29 F N2 O
chemicalCompound:moleculeId	323447
chemicalCompound:mwFreebase	416.53
chemicalCompound:alogp	5.917
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	26.71
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.827
chemicalCompound:acdLogP	5.006
chemicalCompound:acdLogD	3.473
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	416.53
chemicalCompound:acdMostBpk...	8.929
chemicalCompound:chemblId	CHEMBL192187
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:423447
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:1513948, activity:1513949, activity:1513950, activity:1513951, activity:1513952, activity:1513953, activity:1513954, activity:1513955, activity:1513956, activity:1513957