201201

Source:http://linkedlifedata.com/resource/chembl/compound/201201

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C26H25NO4/c1-29-21-13-11-20(12-14-21)27-25(19-10-15-23-24(16-19)31-17-30-23)22(26(27)28)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10-16,22,25H,5,8-9,17H2,1H3/t22-,25-/m1/s1
chemicalCompound:standardIn...	RZAKQIKRELCZEZ-RCZVLFRGSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)N2[C@@H]([C@@H](CCCc3ccccc3)C2=O)c4ccc5OCOc5c4
chemicalCompound:molecularF...	C26 H25 N O4
chemicalCompound:moleculeId	201201
chemicalCompound:mwFreebase	415.481
chemicalCompound:alogp	5.317
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	48
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.437
chemicalCompound:acdLogD	6.437
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	415.481
chemicalCompound:acdMostBpk...	0.263
chemicalCompound:chemblId	CHEMBL332462
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:301201
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:1187044, activity:1187045, activity:1187046