61175

Source:http://linkedlifedata.com/resource/chembl/compound/61175

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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/C21H18F2N2O4/c22-12-3-5-13(6-4-12)25-10-16(21(28)29)20(27)15-8-17(23)19(9-18(15)25)24-7-1-2-14(24)11-26/h3-6,8-10,14,26H,1-2,7,11H2,(H,28,29)/t14-/m0/s1
chemicalCompound:standardIn...	ASGCRDMVBIOIHQ-AWEZNQCLSA-N
chemicalCompound:canonicalS...	OC[C@@H]1CCCN1c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)c4ccc(F)cc4
chemicalCompound:molecularF...	C21 H18 F2 N2 O4
chemicalCompound:moleculeId	61175
chemicalCompound:mwFreebase	400.375
chemicalCompound:alogp	3.273
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	81.08
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.166
chemicalCompound:acdLogP	1.129
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	400.375
chemicalCompound:acdMostBpk...	1.691
chemicalCompound:chemblId	CHEMBL444804
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:161175
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:721411, activity:721412, activity:721413, activity:721414, activity:721415, activity:721416, activity:721417, activity:721418, activity:721419, activity:721420, activity:721421, activity:721422, activity:721423, activity:721424