705782

Source:http://linkedlifedata.com/resource/chembl/compound/705782

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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:10717
chemicalCompound:standardIn...	InChI=1S/C25H31NO.ClH/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25;/h4-10,21-22,27H,11-16H2,1-3H3;1H
chemicalCompound:standardIn...	QZRUMKUMFJJARD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CC(C)(C)C1(O)CCN2CC3c4ccccc4CCc5cccc(C2C1)c35
chemicalCompound:molecularF...	C25H32ClNO
chemicalCompound:moleculeId	705782
chemicalCompound:mwFreebase	361.52
chemicalCompound:alogp	4.713
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	23.47
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.814
chemicalCompound:acdLogD	3.209
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	397.981
chemicalCompound:acdMostBpk...	7.773
chemicalCompound:chemblId	CHEMBL1256790
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:805782
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:3481374, activity:3481440, activity:3481505, activity:3481516, activity:3481554, activity:3481606, activity:3482578