483587

Source:http://linkedlifedata.com/resource/chembl/compound/483587

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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/C28H30N2O12/c1-3-12-13(7-18-21-15(8-19(29-18)25(36)37)14-6-11(32)4-5-17(14)30-21)16(26(38)39-2)10-40-27(12)42-28-24(35)23(34)22(33)20(9-31)41-28/h3-6,8,10,12-13,20,22-24,27-28,30-35H,1,7,9H2,2H3,(H,36,37)/t12?,13?,20-,22-,23+,24-,27+,28+/m1/s1
chemicalCompound:standardIn...	HFPKTEZZZRPDQU-XNKVVINBSA-N
chemicalCompound:canonicalS...	COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C=C)C1Cc3nc(cc4c5cc(O)ccc5[nH]c34)C(=O)O
chemicalCompound:molecularF...	C28H30N2O12
chemicalCompound:moleculeId	483587
chemicalCompound:mwFreebase	586.544
chemicalCompound:alogp	0.658
chemicalCompound:hba	13
chemicalCompound:hbd	7
chemicalCompound:psa	221.11
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	1.451
chemicalCompound:acdLogP	-0.545
chemicalCompound:acdLogD	-3.13
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	586.544
chemicalCompound:acdMostBpk...	9.695
chemicalCompound:chemblId	CHEMBL452188
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:583587
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	CORDIFOLINE
chemicalCompound:activity	activity:2430964