550701

Source:http://linkedlifedata.com/resource/chembl/compound/550701

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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:663117
chemicalCompound:standardIn...	InChI=1S/C23H29NO3.ClH/c1-13-10-16-17-11-15-6-7-18(26-2)21-19(15)23(16,22(27-21)20(13)25)8-9-24(17)12-14-4-3-5-14;/h6-7,13-14,16-17,22H,3-5,8-12H2,1-2H3;1H/t13-,16?,17?,22?,23?;/m0./s1
chemicalCompound:standardIn...	BAZKOMCTERIKMX-QUWLSMTLSA-N
chemicalCompound:canonicalS...	Cl.COc1ccc2CC3C4C[C@H](C)C(=O)C5Oc1c2C45CCN3CC6CCC6
chemicalCompound:molecularF...	C23H30ClNO3
chemicalCompound:moleculeId	550701
chemicalCompound:mwFreebase	367.481
chemicalCompound:alogp	3.68
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	38.76
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.53
chemicalCompound:acdLogD	3.502
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	403.942
chemicalCompound:acdMostBpk...	8.389
chemicalCompound:chemblId	CHEMBL538225
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:650701
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:842006, activity:842007