82770

Source:http://linkedlifedata.com/resource/chembl/compound/82770

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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/C22H33N3O7/c1-11(12(2)26)21-18(32-21)5-13-10-31-17(20(30)19(13)29)7-15(27)6-16(28)14-8-23-22(24-9-14)25(3)4/h8-9,11-13,17-21,26,29-30H,5-7,10H2,1-4H3/t11-,12-,13-,17-,18-,19+,20-,21-/m0/s1
chemicalCompound:standardIn...	USSJFIVOAUGHEA-SUHNACCMSA-N
chemicalCompound:canonicalS...	C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]2CO[C@@H](CC(=O)CC(=O)c3cnc(nc3)N(C)C)[C@H](O)[C@@H]2O
chemicalCompound:molecularF...	C22 H33 N3 O7
chemicalCompound:moleculeId	82770
chemicalCompound:mwFreebase	451.513
chemicalCompound:alogp	-1.049
chemicalCompound:hba	10
chemicalCompound:hbd	3
chemicalCompound:psa	145.61
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	7.709
chemicalCompound:acdLogP	0.639
chemicalCompound:acdLogD	0.478
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	451.513
chemicalCompound:acdMostBpk...	1.76
chemicalCompound:chemblId	CHEMBL53766
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:182770
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:1108094, activity:1108095, activity:1108096, activity:1108097, activity:1108098