5934

Source:http://linkedlifedata.com/resource/chembl/compound/5934

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C31H37NO3/c1-33-25-12-11-22-16-24-23-17-30(13-5-8-20-6-3-2-4-7-20)19-34-28(30)29-31(23,26(22)27(25)35-29)14-15-32(24)18-21-9-10-21/h2-4,6-7,11-12,21,23-24,28-29H,5,8-10,13-19H2,1H3/t23?,24?,28-,29?,30-,31?/m1/s1
chemicalCompound:standardIn...	XBFMOFLFYQYUGW-ZFJNGIDDSA-N
chemicalCompound:canonicalS...	COc1ccc2CC3C4C[C@]5(CCCc6ccccc6)CO[C@@H]5C7Oc1c2C47CCN3CC8CC8
chemicalCompound:molecularF...	C31H37NO3
chemicalCompound:moleculeId	5934
chemicalCompound:mwFreebase	471.63
chemicalCompound:alogp	5.437
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	30.93
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.249
chemicalCompound:acdLogD	3.062
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	471.63
chemicalCompound:acdMostBpk...	8.562
chemicalCompound:chemblId	CHEMBL264920
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:105934
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No