218096

Source:http://linkedlifedata.com/resource/chembl/compound/218096

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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/C38H67N5O10/c1-12-29-38(8,48)33(46)25(4)30(41-50-19-16-39-14-13-17-43-18-15-40-22-43)23(2)21-37(7,49-11)34(26(5)31(44)27(6)35(47)52-29)53-36-32(45)28(42(9)10)20-24(3)51-36/h15,18,22-29,32-34,36,39,45-46,48H,12-14,16-17,19-21H2,1-11H3/b41-30+/t23-,24-,25+,26+,27-,28+,29-,32-,33-,34-,36+,37-,38-/m1/s1
chemicalCompound:standardIn...	YPFUVIHXKMBYGJ-SHRVDMJLSA-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/OCCNCCCn3ccnc3)\[C@H](C)[C@@H](O)[C@]1(C)O)OC
chemicalCompound:molecularF...	C38 H67 N5 O10
chemicalCompound:moleculeId	218096
chemicalCompound:mwFreebase	753.966
chemicalCompound:alogp	1.565
chemicalCompound:hba	14
chemicalCompound:hbd	4
chemicalCompound:psa	186.42
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	10.947
chemicalCompound:acdLogP	2.745
chemicalCompound:acdLogD	-0.095
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	753.966
chemicalCompound:acdMostBpk...	9.339
chemicalCompound:chemblId	CHEMBL131205
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:318096
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:445762, activity:445763, activity:445764, activity:445765, activity:445766, activity:445767, activity:445768, activity:445769, activity:445770, activity:445771, activity:445772