194954

Source:http://linkedlifedata.com/resource/chembl/compound/194954

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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/C28H27N3O3/c32-20-9-8-18-12-21-28(33)13-19-14-29-26(17-4-2-1-3-5-17)30-23(19)25-27(28,22(18)24(20)34-25)10-11-31(21)15-16-6-7-16/h1-5,8-9,14,16,21,25,32-33H,6-7,10-13,15H2/t21-,25?,27+,28-/m1/s1
chemicalCompound:standardIn...	GPGRMDVWLCPNDV-BZYQKWEBSA-N
chemicalCompound:canonicalS...	Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]56C(Oc1c25)c7nc(ncc7C[C@@]36O)c8ccccc8
chemicalCompound:molecularF...	C28 H27 N3 O3
chemicalCompound:moleculeId	194954
chemicalCompound:mwFreebase	453.532
chemicalCompound:alogp	3.534
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	78.71
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.093
chemicalCompound:acdLogP	1.059
chemicalCompound:acdLogD	0.697
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	453.532
chemicalCompound:acdMostBpk...	7.39
chemicalCompound:chemblId	CHEMBL119044
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:294954
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:139636, activity:139637, activity:139638, activity:139639, activity:139640, activity:139641, activity:139642, activity:139643, activity:139644, activity:139645, activity:139646, activity:139647