182601

Source:http://linkedlifedata.com/resource/chembl/compound/182601

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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/C31H21F2N3O6/c1-41-9-8-34-25-6-4-21(36-29(37)22-5-2-17(31(39)40)12-23(22)30(36)38)15-24(25)28-35-26-13-16(3-7-27(26)42-28)18-10-19(32)14-20(33)11-18/h2-7,10-15,34H,8-9H2,1H3,(H,39,40)
chemicalCompound:standardIn...	OTUMGFPSEMHVSK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COCCNc1ccc(cc1c2oc3ccc(cc3n2)c4cc(F)cc(F)c4)N5C(=O)c6ccc(cc6C5=O)C(=O)O
chemicalCompound:molecularF...	C31 H21 F2 N3 O6
chemicalCompound:moleculeId	182601
chemicalCompound:mwFreebase	569.512
chemicalCompound:alogp	5.126
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	121.97
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.314
chemicalCompound:acdLogP	3.826
chemicalCompound:acdLogD	0.728
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	569.512
chemicalCompound:acdMostBpk...	2.711
chemicalCompound:chemblId	CHEMBL112771
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:282601
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:34291, activity:34292