78007

Source:http://linkedlifedata.com/resource/chembl/compound/78007

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:78007_RTI-5989-23_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C22H26ClNO/c1-17-16-24(13-6-8-18-7-3-4-11-21(18)23)14-12-22(17,2)19-9-5-10-20(25)15-19/h3-11,15,17,25H,12-14,16H2,1-2H3/b8-6+/t17-,22+/m0/s1
chemicalCompound:standardIn...	RRGWRLNJBLFYOG-KISUKSLOSA-N
chemicalCompound:canonicalS...	C[C@H]1CN(C\C=C\c2ccccc2Cl)CC[C@@]1(C)c3cccc(O)c3
chemicalCompound:molecularF...	C22 H26 Cl N O
chemicalCompound:moleculeId	78007
chemicalCompound:mwFreebase	355.901
chemicalCompound:alogp	5.52
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	23.47
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.958
chemicalCompound:acdLogP	5.357
chemicalCompound:acdLogD	4.226
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	355.901
chemicalCompound:acdMostBpk...	8.45
chemicalCompound:chemblId	CHEMBL50594
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:178007
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:422479, activity:422480, activity:422481, activity:422482, activity:422483, activity:422484, activity:672483, activity:672484, activity:672485, activity:672486, activity:672487, activity:672488