314001

Source:http://linkedlifedata.com/resource/chembl/compound/314001

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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/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)
chemicalCompound:standardIn...	LISFMEBWQUVKPJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C1Nc2ccccc2C=C1
chemicalCompound:molecularF...	C9H7NO
chemicalCompound:moleculeId	314001
chemicalCompound:mwFreebase	145.158
chemicalCompound:alogp	1.252
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	29.1
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.8
chemicalCompound:acdLogP	1.174
chemicalCompound:acdLogD	1.174
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	145.158
chemicalCompound:chemblId	CHEMBL186422
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:414001
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:16365
chemicalCompound:activity	activity:1474301, activity:4085277, activity:4607228, activity:4802824, activity:5193019, activity:5193026, activity:5193564, activity:5193671, activity:5193694, activity:5194153, activity:5194223, activity:5194377, activity:5194378, activity:7055874, activity:8053897, activity:8053898, activity:8053899, activity:8053900, activity:8053901, activity:8053902, activity:8053903, activity:8053904, activity:8053905, activity:8053906, activity:8053907, activity:8053908, activity:8053909, activity:8053910, activity:8053911, activity:8053912, activity:8053913, activity:8053914, activity:8053915, activity:8053916, activity:8053917, activity:8053918, activity:8053919, activity:8053920