292127

Source:http://linkedlifedata.com/resource/chembl/compound/292127

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C28H38O7/c1-3-4-5-6-10-17-31-26-24(29)28(32-18-20-11-8-7-9-12-20)34-23-19-33-27(35-25(23)26)21-13-15-22(30-2)16-14-21/h7-9,11-16,23-29H,3-6,10,17-19H2,1-2H3/t23-,24-,25-,26-,27-,28+/m1/s1
chemicalCompound:standardIn...	RTJFNUTTWYKJTC-PYFBZWTESA-N
chemicalCompound:canonicalS...	CCCCCCCO[C@@H]1[C@@H](O)[C@@H](OCc2ccccc2)O[C@@H]3CO[C@H](O[C@@H]13)c4ccc(OC)cc4
chemicalCompound:molecularF...	C28 H38 O7
chemicalCompound:moleculeId	292127
chemicalCompound:mwFreebase	486.597
chemicalCompound:alogp	4.986
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	75.61
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.731
chemicalCompound:acdLogP	4.436
chemicalCompound:acdLogD	4.436
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	486.597
chemicalCompound:chemblId	CHEMBL425149
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:392127
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:103853, activity:103854, activity:103855, activity:103856