276978

Source:http://linkedlifedata.com/resource/chembl/compound/276978

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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/C30H34N2O5/c1-21(33)37-29-27(23-10-12-25(35-4)13-11-23)19-24-18-26(36-20-22-8-6-5-7-9-22)14-15-28(24)32(30(29)34)17-16-31(2)3/h5-15,18,27,29H,16-17,19-20H2,1-4H3/t27-,29+/m0/s1
chemicalCompound:standardIn...	HQSDJAVKTGISTO-LMSSTIIKSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)[C@@H]2Cc3cc(OCc4ccccc4)ccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C
chemicalCompound:molecularF...	C30 H34 N2 O5
chemicalCompound:moleculeId	276978
chemicalCompound:mwFreebase	502.601
chemicalCompound:alogp	4.57
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	68.31
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.904
chemicalCompound:acdLogD	3.521
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	502.601
chemicalCompound:acdMostBpk...	8.937
chemicalCompound:chemblId	CHEMBL352922
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:376978
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:644473, activity:644474, activity:644475, activity:644476, activity:644477