1286999

Source:http://linkedlifedata.com/resource/chembl/compound/1286999

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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/C27H25NO8/c1-32-21-6-13(7-22(33-2)26(21)30)23-16-9-19-20(36-12-35-19)10-17(16)25(18-11-34-27(31)24(18)23)28-14-4-3-5-15(29)8-14/h3-10,18,23-25,28-30H,11-12H2,1-2H3/t18?,23?,24-,25+/m0/s1
chemicalCompound:standardIn...	YBIPRFWIJQFYKB-PUEOPUMLSA-N
chemicalCompound:canonicalS...	COc1cc(cc(OC)c1O)C2[C@@H]3C(COC3=O)[C@H](Nc4cccc(O)c4)c5cc6OCOc6cc25
chemicalCompound:molecularF...	C27H25NO8
chemicalCompound:moleculeId	1286999
chemicalCompound:mwFreebase	491.489
chemicalCompound:alogp	3.64
chemicalCompound:hba	9
chemicalCompound:hbd	3
chemicalCompound:psa	115.71
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.883
chemicalCompound:acdLogP	2.922
chemicalCompound:acdLogD	2.919
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	491.489
chemicalCompound:acdMostBpk...	2.759
chemicalCompound:chemblId	CHEMBL1965708
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1386999
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:8227283, activity:8278875, activity:8348306, activity:8363522, activity:8378082, activity:8402629, activity:8464421, activity:8488486, activity:8553602, activity:8569217, activity:8650010, activity:8659797, activity:8705570, activity:8745808, activity:8752567, activity:8838749, activity:8849931, activity:8880921, activity:8901473, activity:8948850, activity:9033741, activity:9049194, activity:9052656, activity:9145652, activity:9147832, activity:9159457, activity:9165710, activity:9265497, activity:9280732, activity:9327835, activity:9334193, activity:9341733, activity:9414962, activity:9486996, activity:9498131, activity:9525773, activity:9571453, activity:9643358, activity:9670483, activity:9754139, activity:9760244, activity:9774698, activity:9840734, activity:9869737, activity:9941332, activity:9973826, activity:10011354, activity:10022696, activity:10059234, activity:10096717, activity:10100089, activity:10135350, activity:10150177, activity:10195050, activity:10227642, activity:10259159, activity:10280819, activity:10304292, activity:10346474, activity:10421038, activity:10452263, activity:10471878, activity:10501585, activity:10563447, activity:10573839, activity:10649861