674727

Source:http://linkedlifedata.com/resource/chembl/compound/674727

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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:675235
chemicalCompound:synonym	synonym:674727_AMG-073_RESEARCH_CODE, synonym:674727_Cinacalcet Hydrochloride_USAN
chemicalCompound:standardIn...	InChI=1S/C22H22F3N.ClH/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25;/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3;1H/t16-;/m1./s1
chemicalCompound:standardIn...	QANQWUQOEJZMLL-PKLMIRHRSA-N
chemicalCompound:canonicalS...	Cl.C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c2cccc3ccccc23
chemicalCompound:molecularF...	C22H23ClF3N
chemicalCompound:moleculeId	674727
chemicalCompound:mwFreebase	357.412
chemicalCompound:alogp	5.956
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	12.03
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.185
chemicalCompound:acdLogD	4.407
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	393.873
chemicalCompound:acdMostBpk...	9.192
chemicalCompound:chemblId	CHEMBL1200776
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774727
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	CINACALCET HYDROCHLORIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:48391
chemicalCompound:firstAppro...	2004
chemicalCompound:activity	activity:3514905, activity:3514921