218396

Source:http://linkedlifedata.com/resource/chembl/compound/218396

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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/C41H63ClN2O10/c1-12-31-41(8)35(44(39(49)54-41)19-14-13-16-28-17-15-18-29(42)21-28)25(4)32(45)23(2)22-40(7,50-11)36(26(5)33(46)27(6)37(48)52-31)53-38-34(47)30(43(9)10)20-24(3)51-38/h15,17-18,21,23-27,30-31,34-36,38,47H,12-14,16,19-20,22H2,1-11H3/t23-,24-,25+,26+,27-,30+,31-,34-,35-,36-,38+,40-,41-/m1/s1
chemicalCompound:standardIn...	RSTHLXNONVTYJS-NDXFOWBQSA-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(CCCCc4cccc(Cl)c4)C(=O)O[C@]13C)OC
chemicalCompound:molecularF...	C41 H63 Cl N2 O10
chemicalCompound:moleculeId	218396
chemicalCompound:mwFreebase	779.399
chemicalCompound:alogp	6.473
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	7.623
chemicalCompound:acdLogD	6.891
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	779.399
chemicalCompound:acdMostBpk...	8.133
chemicalCompound:chemblId	CHEMBL133851
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:318396
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:433906, activity:433907, activity:433908, activity:433909, activity:433910, activity:433911, activity:433912, activity:433913, activity:433914, activity:433915, activity:433916