445507

Source:http://linkedlifedata.com/resource/chembl/compound/445507

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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/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34?/m1/s1
chemicalCompound:standardIn...	IYMHVUYNBVWXKH-ZITZVVOASA-N
chemicalCompound:canonicalS...	OC1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3c4c(O)c(O)c(O)cc4C(=O)O[C@H]2[C@@H]5OC(=O)c6cc(O)c(O)c(O)c6c7c(O)c(O)c(O)cc7C(=O)O[C@@H]15
chemicalCompound:molecularF...	C34H24O22
chemicalCompound:moleculeId	445507
chemicalCompound:mwFreebase	784.541
chemicalCompound:alogp	2.133
chemicalCompound:hba	22
chemicalCompound:hbd	13
chemicalCompound:psa	377.42
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.557
chemicalCompound:acdLogP	2.652
chemicalCompound:acdLogD	2.282
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	784.541
chemicalCompound:chemblId	CHEMBL506204
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:545507
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	PEDUNCULAGIN
chemicalCompound:activity	activity:2197684, activity:2201166, activity:2201223, activity:2201280, activity:2201337, activity:2201396, activity:2325141, activity:2325149, activity:2325154, activity:2325161, activity:2325168, activity:2325175, activity:2325201, activity:2325202, activity:2325203, activity:2325204, activity:2325205, activity:2325206, activity:2325207, activity:2325208, activity:2325209, activity:2325210, activity:2325211, activity:2325212, activity:2325222, activity:2325223, activity:2332755, activity:2332773, activity:2332791, activity:2332809, activity:2332827, activity:2332845, activity:2333850, activity:2333868, activity:2333886, activity:2333904, activity:2427205, activity:2427214, activity:2430695, activity:3205965, activity:3205966, activity:3205988, activity:3205989, activity:3205990, activity:3205991