218474

Source:http://linkedlifedata.com/resource/chembl/compound/218474

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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/C41H64N2O10/c1-12-31-41(8)35(43(39(48)53-41)21-17-16-20-29-18-14-13-15-19-29)26(4)32(44)24(2)23-40(7,49-11)36(27(5)33(45)28(6)37(47)51-31)52-38-34(46)30(42(9)10)22-25(3)50-38/h13-15,18-19,24-28,30-31,34-36,38,46H,12,16-17,20-23H2,1-11H3/t24-,25-,26+,27+,28-,30+,31-,34-,35-,36-,38+,40-,41-/m1/s1
chemicalCompound:standardIn...	YIMWWHWSVDTOIN-IEOJAWRJSA-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(=O)[C@H](C)[C@H]3N(CCCCc4ccccc4)C(=O)O[C@]13C)OC
chemicalCompound:molecularF...	C41 H64 N2 O10
chemicalCompound:moleculeId	218474
chemicalCompound:mwFreebase	744.954
chemicalCompound:alogp	5.808
chemicalCompound:hba	11
chemicalCompound:hbd	1
chemicalCompound:psa	141.13
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.854
chemicalCompound:acdLogP	6.936
chemicalCompound:acdLogD	6.205
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	744.954
chemicalCompound:acdMostBpk...	8.133
chemicalCompound:chemblId	CHEMBL435978
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:318474
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:433895, activity:433896, activity:433897, activity:433898, activity:433899, activity:433900, activity:433901, activity:433902, activity:433903, activity:433904, activity:433905