546942

Source:http://linkedlifedata.com/resource/chembl/compound/546942

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:665744
chemicalCompound:standardIn...	InChI=1S/C25H30N2O5.ClH/c1-4-27(5-2)12-8-9-15(3)26-20(29)14-16-13-19(28)21-22(23(16)30)25(32)18-11-7-6-10-17(18)24(21)31;/h6-7,10-11,13,15,28,30H,4-5,8-9,12,14H2,1-3H3,(H,26,29);1H
chemicalCompound:standardIn...	GUVZWMZJZWTOMC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CCN(CC)CCCC(C)NC(=O)Cc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O
chemicalCompound:molecularF...	C25H31ClN2O5
chemicalCompound:moleculeId	546942
chemicalCompound:mwFreebase	438.516
chemicalCompound:alogp	3.423
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	106.94
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.568
chemicalCompound:acdLogP	5.317
chemicalCompound:acdLogD	2.715
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	474.977
chemicalCompound:acdMostBpk...	10.465
chemicalCompound:chemblId	CHEMBL542940
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:646942
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:360753, activity:360754, activity:360755