43398

Source:http://linkedlifedata.com/resource/chembl/compound/43398

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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/C30H36N2O6/c1-6-36-26(35)32-23(18-10-9-13-31-16-18)24(33)25(34)37-22-14-21-27(3,4)28(22,5)29-15-17(2)19-11-7-8-12-20(19)30(21,29)38-29/h7-13,16-17,21-24,33H,6,14-15H2,1-5H3,(H,32,35)/t17-,21?,22?,23-,24+,28?,29-,30+/m0/s1
chemicalCompound:standardIn...	DXVPDABBUQPVFR-KOZGNGJDSA-N
chemicalCompound:canonicalS...	CCOC(=O)N[C@H]([C@@H](O)C(=O)OC1CC2C(C)(C)C1(C)[C@@]34C[C@H](C)c5ccccc5[C@@]23O4)c6cccnc6
chemicalCompound:molecularF...	C30 H36 N2 O6
chemicalCompound:moleculeId	43398
chemicalCompound:mwFreebase	520.617
chemicalCompound:alogp	3.307
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	110.28
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	10.765
chemicalCompound:acdLogP	3.699
chemicalCompound:acdLogD	3.698
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	520.617
chemicalCompound:acdMostBpk...	4.584
chemicalCompound:chemblId	CHEMBL283414
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:143398
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:469857