346282

Source:http://linkedlifedata.com/resource/chembl/compound/346282

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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/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1
chemicalCompound:standardIn...	QJYNZEYHSMRWBK-NIKIMHBISA-N
chemicalCompound:canonicalS...	Oc1cc(cc(O)c1O)C(=O)OC[C@H]2O[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@@H]2OC(=O)c6cc(O)c(O)c(O)c6
chemicalCompound:molecularF...	C41H32O26
chemicalCompound:moleculeId	346282
chemicalCompound:mwFreebase	940.677
chemicalCompound:alogp	4.073
chemicalCompound:hba	26
chemicalCompound:hbd	15
chemicalCompound:psa	444.18
chemicalCompound:rtb	16
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.368
chemicalCompound:acdLogP	2.993
chemicalCompound:acdLogD	2.968
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	940.677
chemicalCompound:chemblId	CHEMBL382408
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:446282
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:18082
chemicalCompound:activity	activity:642651, activity:642652, activity:642653, activity:642654, activity:642655, activity:647341, activity:647342, activity:647343, activity:647344, activity:647345, activity:982604, activity:982605, activity:982606, activity:1461124, activity:1712861, activity:2196027, activity:2196051, activity:2196075, activity:2197667, activity:2201179, activity:2201236, activity:2201293, activity:2201350, activity:2201409, activity:2325140, activity:2325144, activity:2325145, activity:2325150, activity:2325155, activity:2325162, activity:2325169, activity:2325176, activity:2325213, activity:2325214, activity:2325215, activity:2325216, activity:2325217, activity:2325218, activity:2332744, activity:2332762, activity:2332780, activity:2332798, activity:2332816, activity:2332834, activity:2333038, activity:2333848, activity:2333861, activity:2333879, activity:2333897, activity:2335497, activity:2335498, activity:2335502, activity:2335503, activity:2335504, activity:2430366, activity:2430367, activity:2441172, activity:2546337, activity:3205998, activity:3205999, activity:3206000, activity:3206001, activity:3206002, activity:3206003, activity:8042278, activity:8042280