164272

Source:http://linkedlifedata.com/resource/chembl/compound/164272

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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/C30H37N3O2/c1-30(24-9-12-28(13-10-24)35-20-19-32-16-4-5-17-32)29-14-11-27(34)21-23(29)15-18-33(30)26-8-6-7-25(22-26)31(2)3/h6-14,21-22,34H,4-5,15-20H2,1-3H3
chemicalCompound:standardIn...	LRBZQKOFLDXLHL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)c1cccc(c1)N2CCc3cc(O)ccc3C2(C)c4ccc(OCCN5CCCC5)cc4
chemicalCompound:molecularF...	C30 H37 N3 O2
chemicalCompound:moleculeId	164272
chemicalCompound:mwFreebase	471.634
chemicalCompound:alogp	5.971
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	39.18
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.879
chemicalCompound:acdLogP	4.614
chemicalCompound:acdLogD	2.456
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	471.634
chemicalCompound:acdMostBpk...	9.602
chemicalCompound:chemblId	CHEMBL323119
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:264272
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:1126526, activity:1126527, activity:1126528, activity:1126529, activity:1126530, activity:1126531, activity:1126532, activity:1435504, activity:1435505, activity:1435928, activity:1435929, activity:1435930, activity:1435931