72329

Source:http://linkedlifedata.com/resource/chembl/compound/72329

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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:72329_SCH-48375_RESEARCH_CODE, synonym:72329_SCH-48678_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C26H27NO3/c1-29-22-15-11-20(12-16-22)25-24(10-6-9-19-7-4-3-5-8-19)26(28)27(25)21-13-17-23(30-2)18-14-21/h3-5,7-8,11-18,24-25H,6,9-10H2,1-2H3/t24-,25+/m0/s1
chemicalCompound:standardIn...	IMNTVVOUWFPRSB-LOSJGSFVSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)[C@@H]2[C@H](CCCc3ccccc3)C(=O)N2c4ccc(OC)cc4
chemicalCompound:molecularF...	C26 H27 N O3
chemicalCompound:moleculeId	72329
chemicalCompound:mwFreebase	401.497
chemicalCompound:alogp	5.533
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	38.77
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.933
chemicalCompound:acdLogD	5.933
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	401.497
chemicalCompound:acdMostBpk...	0.331
chemicalCompound:chemblId	CHEMBL299096
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:172329
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:582715, activity:582716, activity:582717, activity:582718, activity:916785, activity:942059, activity:1095336, activity:1102122, activity:1225088, activity:1225089, activity:1225090