551187

Source:http://linkedlifedata.com/resource/chembl/compound/551187

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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:670465
chemicalCompound:standardIn...	InChI=1S/C22H29NO2.ClH/c1-2-15-9-18(25)12-22-7-8-23(13-14-3-4-14)20(21(15)22)10-16-5-6-17(24)11-19(16)22;/h5-6,11,14-15,20-21,24H,2-4,7-10,12-13H2,1H3;1H/t15-,20?,21-,22?;/m1./s1
chemicalCompound:standardIn...	UDISBHXPRPMTPZ-IRJSZFPPSA-N
chemicalCompound:canonicalS...	Cl.CC[C@@H]1CC(=O)CC23CCN(CC4CC4)C(Cc5ccc(O)cc25)[C@@H]13
chemicalCompound:molecularF...	C22H30ClNO2
chemicalCompound:moleculeId	551187
chemicalCompound:mwFreebase	339.471
chemicalCompound:alogp	3.554
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	40.54
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.069
chemicalCompound:acdLogP	4.599
chemicalCompound:acdLogD	3.304
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	375.932
chemicalCompound:acdMostBpk...	8.691
chemicalCompound:chemblId	CHEMBL557229
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:651187
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:876304, activity:876305