72849

Source:http://linkedlifedata.com/resource/chembl/compound/72849

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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/C36H61N3O6/c1-5-6-17-30(35(42)38-31(23-27-13-9-7-10-14-27)34(41)33(40)22-26(2)3)37-32(24-28-15-11-8-12-16-28)36(43)39-20-18-29(19-21-39)45-25-44-4/h8,11-12,15-16,26-27,29-34,37,40-41H,5-7,9-10,13-14,17-25H2,1-4H3,(H,38,42)/t30-,31-,32-,33-,34+/m0/s1
chemicalCompound:standardIn...	STRPKSLUAAKNIH-PJRHAEEISA-N
chemicalCompound:canonicalS...	CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N2CCC(CC2)OCOC)C(=O)N[C@@H](CC3CCCCC3)[C@@H](O)[C@@H](O)CC(C)C
chemicalCompound:molecularF...	C36 H61 N3 O6
chemicalCompound:moleculeId	72849
chemicalCompound:mwFreebase	631.886
chemicalCompound:alogp	4.928
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	120.36
chemicalCompound:rtb	19
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.838
chemicalCompound:acdLogP	5.162
chemicalCompound:acdLogD	5.145
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	631.886
chemicalCompound:acdMostBpk...	6.582
chemicalCompound:chemblId	CHEMBL48537
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:172849
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:67946, activity:67947, activity:67948, activity:663920, activity:663921, activity:663922, activity:663923