217730

Source:http://linkedlifedata.com/resource/chembl/compound/217730

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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/C35H63N3O10/c1-12-26-35(8,43)30(41)21(4)27(37-48-24-14-13-15-36-18-24)19(2)17-34(7,44-11)31(22(5)28(39)23(6)32(42)46-26)47-33-29(40)25(38(9)10)16-20(3)45-33/h19-26,29-31,33,36,40-41,43H,12-18H2,1-11H3/b37-27+/t19-,20-,21+,22+,23-,24?,25+,26-,29-,30-,31-,33+,34-,35-/m1/s1
chemicalCompound:standardIn...	ZGSFCRJZKWWNAI-DNFLMSIASA-N
chemicalCompound:canonicalS...	CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)\C(=N/OC3CCCNC3)\[C@H](C)[C@@H](O)[C@]1(C)O)OC
chemicalCompound:molecularF...	C35 H63 N3 O10
chemicalCompound:moleculeId	217730
chemicalCompound:mwFreebase	685.889
chemicalCompound:alogp	2.251
chemicalCompound:hba	13
chemicalCompound:hbd	4
chemicalCompound:psa	168.61
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	10.946
chemicalCompound:acdLogP	3.461
chemicalCompound:acdLogD	0.445
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	685.889
chemicalCompound:acdMostBpk...	9.804
chemicalCompound:chemblId	CHEMBL335209
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:317730
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:444375, activity:444376, activity:444377, activity:444378, activity:444379, activity:444380, activity:444381, activity:444382, activity:444383, activity:444384, activity:444385, activity:473513, activity:473514, activity:473515, activity:473516, activity:473517, activity:473518, activity:473519, activity:473520, activity:473521, activity:473522, activity:473523