349538

Source:http://linkedlifedata.com/resource/chembl/compound/349538

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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/C18H20N4O4/c1-4-26-18-13(10-19)14(20)9-16(22-18)21-17(23)8-11-7-12(24-2)5-6-15(11)25-3/h5-7,9H,4,8H2,1-3H3,(H3,20,21,22,23)
chemicalCompound:standardIn...	KQMPRSZTUSSXND-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N
chemicalCompound:molecularF...	C18 H20 N4 O4
chemicalCompound:moleculeId	349538
chemicalCompound:mwFreebase	356.376
chemicalCompound:alogp	2.008
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	119.49
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.231
chemicalCompound:acdLogP	4.428
chemicalCompound:acdLogD	4.428
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	356.376
chemicalCompound:acdMostBpk...	1.595
chemicalCompound:chemblId	CHEMBL210618
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:449538
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:1722694, activity:1722801, activity:1722820, activity:1722879, activity:1722901, activity:1722936, activity:1722942, activity:1722952, activity:1722961, activity:1722966, activity:1722971, activity:1722972, activity:1722979, activity:1723013, activity:1723085, activity:1723095, activity:1723102, activity:1723109, activity:1723115, activity:1723154, activity:1723160, activity:1723168, activity:1723174, activity:1723189, activity:1723205, activity:1723211, activity:1723217, activity:1723250, activity:1723255, activity:1723256, activity:1723258, activity:1723270, activity:1723283, activity:1723286, activity:1723307, activity:1723311, activity:1723315, activity:1723343, activity:1723351, activity:1723354, activity:1723372, activity:1723397, activity:1723402, activity:1723407, activity:1723412, activity:1723417, activity:1723422, activity:1723427, activity:1723432, activity:1723438, activity:1723444, activity:1723454, activity:1723470, activity:1723479, activity:1723487, activity:1723499, activity:1723503, activity:1723507, activity:1723552, activity:1723557, activity:1723562, activity:1723567, activity:1723572, activity:1723577, activity:1723582, activity:1723587