441160

Source:http://linkedlifedata.com/resource/chembl/compound/441160

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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/C33H29N3O14/c1-2-33(44)19-10-22-24-16(11-35(22)29(40)18(19)13-48-32(33)43)8-15-9-17(4-5-20(15)34-24)47-12-14-3-6-23(21(7-14)36(45)46)49-31-27(39)25(37)26(38)28(50-31)30(41)42/h3-10,25-28,31,37-39,44H,2,11-13H2,1H3,(H,41,42)/t25-,26-,27+,28-,31+,33-/m0/s1
chemicalCompound:standardIn...	WIAVRCLRWOVZQN-YMFPQBJKSA-N
chemicalCompound:canonicalS...	CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5cc(OCc6ccc(O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(=O)O)c(c6)[N+](=O)[O-])ccc5nc34)C2=O
chemicalCompound:molecularF...	C33 H29 N3 O14
chemicalCompound:moleculeId	441160
chemicalCompound:mwFreebase	691.595
chemicalCompound:alogp	1.163
chemicalCompound:hba	15
chemicalCompound:hbd	5
chemicalCompound:psa	251.22
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.742
chemicalCompound:acdLogP	-1.168
chemicalCompound:acdLogD	-4.876
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	691.595
chemicalCompound:acdMostBpk...	4.577
chemicalCompound:chemblId	CHEMBL406496
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:541160
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:2120141, activity:2120142, activity:2120144, activity:2120149, activity:2120150, activity:2120151, activity:2120152, activity:2120153, activity:2120154, activity:2120155, activity:2120159, activity:2120160, activity:2120161, activity:2120162, activity:2120163, activity:2120164