431

Source:http://linkedlifedata.com/resource/chembl/compound/431

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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/C30H44O9/c1-16-27(34)22(32)12-25(38-16)39-19-6-8-28(2)18(11-19)4-5-21-20(28)7-9-29(3)26(17-10-24(33)36-14-17)23(37-15-31)13-30(21,29)35/h10,15-16,18-23,25-27,32,34-35H,4-9,11-14H2,1-3H3/t16?,18?,19?,20?,21?,22?,23?,25?,26-,27?,28?,29?,30?/m0/s1
chemicalCompound:standardIn...	IOXIBFLACIBMNF-BPQZMAMGSA-N
chemicalCompound:canonicalS...	CC1OC(CC(O)C1O)OC2CCC3(C)C(CCC4C3CCC5(C)[C@H](C(CC45O)OC=O)C6=CC(=O)OC6)C2
chemicalCompound:molecularF...	C30 H44 O9
chemicalCompound:moleculeId	431
chemicalCompound:mwFreebase	548.665
chemicalCompound:alogp	2.293
chemicalCompound:hba	9
chemicalCompound:hbd	3
chemicalCompound:psa	131.75
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.679
chemicalCompound:acdLogP	1.816
chemicalCompound:acdLogD	1.816
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	548.665
chemicalCompound:chemblId	CHEMBL441173
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100431
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:533083