1701

Source:http://linkedlifedata.com/resource/chembl/compound/1701

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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/C20H20FN3O4/c1-12(25)23-10-15-11-24(20(27)28-15)14-5-6-16(17(21)9-14)13-3-7-18(22-2)19(26)8-4-13/h3-9,15H,10-11H2,1-2H3,(H,22,26)(H,23,25)/t15-/m0/s1
chemicalCompound:standardIn...	RPQZZKCWHJKWAW-HNNXBMFYSA-N
chemicalCompound:canonicalS...	C\N=C\1/C=CC(=CC=C1O)c2ccc(cc2F)N3C[C@H](CNC(=O)C)OC3=O
chemicalCompound:molecularF...	C20 H20 F N3 O4
chemicalCompound:moleculeId	1701
chemicalCompound:mwFreebase	385.389
chemicalCompound:alogp	1.695
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	91.23
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.683
chemicalCompound:acdLogP	2.529
chemicalCompound:acdLogD	2.45
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	385.389
chemicalCompound:chemblId	CHEMBL266447
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:101701
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:204768, activity:204769, activity:204770, activity:204771, activity:204772, activity:204773