294682

Source:http://linkedlifedata.com/resource/chembl/compound/294682

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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/C42H44N2O8/c45-33-25-29-19-7-9-21-31(29)35(33)43-41(49)39(51-23-11-17-27-13-3-1-4-14-27)37(47)38(48)40(52-24-12-18-28-15-5-2-6-16-28)42(50)44-36-32-22-10-8-20-30(32)26-34(36)46/h1-22,33-40,45-48H,23-26H2,(H,43,49)(H,44,50)/b17-11+,18-12+/t33-,34-,35+,36+,37-,38-,39-,40-/m1/s1
chemicalCompound:standardIn...	HXGFAZCCECFMQQ-NGDAAYTRSA-N
chemicalCompound:canonicalS...	O[C@H]([C@@H](O)[C@@H](OC\C=C\c1ccccc1)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)[C@@H](OC\C=C\c4ccccc4)C(=O)N[C@@H]5[C@H](O)Cc6ccccc56
chemicalCompound:molecularF...	C42 H44 N2 O8
chemicalCompound:moleculeId	294682
chemicalCompound:mwFreebase	704.807
chemicalCompound:alogp	3.743
chemicalCompound:hba	8
chemicalCompound:hbd	6
chemicalCompound:psa	157.57
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.542
chemicalCompound:acdLogP	7.013
chemicalCompound:acdLogD	7.011
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	704.807
chemicalCompound:chemblId	CHEMBL366394
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:394682
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:835521, activity:835522, activity:835523, activity:835524