645059

Source:http://linkedlifedata.com/resource/chembl/compound/645059

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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/C22H32O7/c1-10-14-15(25)16(26)17-21(9-29-11(2)23)7-5-6-20(3,4)12(21)8-13(24)22(17,18(10)27)19(14)28/h12-17,19,24-26,28H,1,5-9H2,2-4H3/t12-,13-,14-,15-,16+,17+,19-,21+,22-/m1/s1
chemicalCompound:standardIn...	OERATICAMRWIDC-ZWOBSMHRSA-N
chemicalCompound:canonicalS...	CC(=O)OC[C@@]12CCCC(C)(C)[C@H]1C[C@@H](O)[C@@]34[C@H](O)[C@@H]([C@@H](O)[C@H](O)[C@@H]23)C(=C)C4=O
chemicalCompound:molecularF...	C22H32O7
chemicalCompound:moleculeId	645059
chemicalCompound:mwFreebase	408.485
chemicalCompound:alogp	0.073
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	124.29
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.476
chemicalCompound:acdLogP	1.84
chemicalCompound:acdLogD	1.84
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	408.485
chemicalCompound:chemblId	CHEMBL1165343
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:745059
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	ISOLUSHININ G
chemicalCompound:activity	activity:3328269, activity:3328274, activity:3329310, activity:3329315, activity:3329320