420644

Source:http://linkedlifedata.com/resource/chembl/compound/420644

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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/C22H30O8/c1-13-5-4-6-16(11-23)10-19-20(14(2)21(26)29-19)18(9-13)30-22(27)17(12-24)7-8-28-15(3)25/h5,7,10,14,18-20,23-24H,4,6,8-9,11-12H2,1-3H3/b13-5+,16-10-,17-7-/t14-,18+,19-,20-/m1/s1
chemicalCompound:standardIn...	QVMJTYNTCBEZMJ-MKKXVNNWSA-N
chemicalCompound:canonicalS...	C[C@@H]1[C@@H]2[C@H](C\C(=C/CC\C(=C\[C@H]2OC1=O)\CO)\C)OC(=O)\C(=C/COC(=O)C)\CO
chemicalCompound:molecularF...	C22 H30 O8
chemicalCompound:moleculeId	420644
chemicalCompound:mwFreebase	422.469
chemicalCompound:alogp	1.808
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	119.36
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.324
chemicalCompound:acdLogP	3.104
chemicalCompound:acdLogD	3.104
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	422.469
chemicalCompound:chemblId	CHEMBL251488
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:520644
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:2061888, activity:2061889, activity:2061896, activity:2061897, activity:2061912, activity:2061913, activity:2061920, activity:2061921, activity:2061934, activity:2061935, activity:2061946, activity:2061947, activity:2061960, activity:2061961, activity:2061972, activity:2061973, activity:2061980, activity:2061981, activity:2061994, activity:2061995, activity:2062006, activity:2062007, activity:2062020, activity:2062021, activity:2062034, activity:2062035, activity:2062046, activity:2062047