217298

Source:http://linkedlifedata.com/resource/chembl/compound/217298

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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/C40H40N4O5/c1-49-33-19-11-17-31(23-33)27-44-35(25-29-14-6-3-7-15-29)38(46)37(45)34(24-28-12-4-2-5-13-28)43(40(44)48)26-30-16-10-18-32(22-30)39(47)42-36-20-8-9-21-41-36/h2-23,34-35,37-38,45-46H,24-27H2,1H3,(H,41,42,47)/t34-,35-,37+,38+/m1/s1
chemicalCompound:standardIn...	HHYBBXBBDLLGIU-PASMDFPHSA-N
chemicalCompound:canonicalS...	COc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc5cccc(c5)C(=O)Nc6ccccn6)C2=O)c1
chemicalCompound:molecularF...	C40 H40 N4 O5
chemicalCompound:moleculeId	217298
chemicalCompound:mwFreebase	656.769
chemicalCompound:alogp	5.769
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	115.23
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.211
chemicalCompound:acdLogP	6.132
chemicalCompound:acdLogD	6.132
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	656.769
chemicalCompound:acdMostBpk...	3.28
chemicalCompound:chemblId	CHEMBL335935
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:317298
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:453614, activity:453615, activity:453616