644475

Source:http://linkedlifedata.com/resource/chembl/compound/644475

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:161
chemicalCompound:standardIn...	InChI=1S/C30H41N3O10/c1-9-31(10-2)30(36)43-18-21-17-32(28(34)19-13-22(37-3)26(41-7)23(14-19)38-4)11-12-33(21)29(35)20-15-24(39-5)27(42-8)25(16-20)40-6/h13-16,21H,9-12,17-18H2,1-8H3/i7T
chemicalCompound:standardIn...	QKSXEJNMSRTCRE-HKNMUYPKSA-N
chemicalCompound:canonicalS...	[3H]COc1c(OC)cc(cc1OC)C(=O)N2CCN(C(COC(=O)N(CC)CC)C2)C(=O)c3cc(OC)c(OC)c(OC)c3
chemicalCompound:molecularF...	C30H40N3O10T
chemicalCompound:moleculeId	644475
chemicalCompound:mwFreebase	603.661
chemicalCompound:alogp	2.794
chemicalCompound:hba	10
chemicalCompound:hbd	0
chemicalCompound:psa	125.54
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.984
chemicalCompound:acdLogD	1.984
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	605.653
chemicalCompound:chemblId	CHEMBL1162944
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:744475
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:1839901