250697

Source:http://linkedlifedata.com/resource/chembl/compound/250697

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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/C35H42N2O9/c1-21(2)28(35(43)44)37(3)34(42)32(46-20-23-14-8-5-9-15-23)30(40)29(39)31(45-19-22-12-6-4-7-13-22)33(41)36-27-25-17-11-10-16-24(25)18-26(27)38/h4-17,21,26-32,38-40H,18-20H2,1-3H3,(H,36,41)(H,43,44)/t26-,27?,28?,29+,30+,31+,32+/m0/s1
chemicalCompound:standardIn...	OXJNORCDTACECD-LKUBXECQSA-N
chemicalCompound:canonicalS...	CC(C)C(N(C)C(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc2ccccc2)C(=O)NC3[C@@H](O)Cc4ccccc34)C(=O)O
chemicalCompound:molecularF...	C35 H42 N2 O9
chemicalCompound:moleculeId	250697
chemicalCompound:mwFreebase	634.716
chemicalCompound:alogp	2.646
chemicalCompound:hba	9
chemicalCompound:hbd	5
chemicalCompound:psa	165.86
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.247
chemicalCompound:acdLogP	4.291
chemicalCompound:acdLogD	0.63
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	634.716
chemicalCompound:chemblId	CHEMBL358008
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:350697
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:178340, activity:178341, activity:178342, activity:178343