880207

Source:http://linkedlifedata.com/resource/chembl/compound/880207

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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/C16H15NO2/c18-15-7-3-6-14(15)16(19)17-13-9-8-11-4-1-2-5-12(11)10-13/h1-2,4-5,8-10,14H,3,6-7H2,(H,17,19)
chemicalCompound:standardIn...	OSFFFMWAXURKPD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(Nc1ccc2ccccc2c1)C3CCCC3=O
chemicalCompound:molecularF...	C16H15NO2
chemicalCompound:moleculeId	880207
chemicalCompound:mwFreebase	253.296
chemicalCompound:alogp	2.527
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	46.17
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.542
chemicalCompound:acdLogP	2.181
chemicalCompound:acdLogD	2.181
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	253.296
chemicalCompound:acdMostBpk...	0.175
chemicalCompound:chemblId	CHEMBL1456323
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:980207
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:3695377, activity:3838230, activity:4891754, activity:5605954, activity:5744387, activity:5917857, activity:6543469, activity:6922512, activity:7193713, activity:7404233, activity:8241423, activity:8275224, activity:8305794, activity:8362446, activity:8385497, activity:8396201, activity:8489222, activity:8572112, activity:8583378, activity:8634735, activity:8655865, activity:8719374, activity:8759552, activity:8766628, activity:8802994, activity:8863951, activity:8890531, activity:8919977, activity:8958495, activity:9016922, activity:9063215, activity:9088775, activity:9135228, activity:9175353, activity:9283612, activity:9285552, activity:9352089, activity:9421715, activity:9424336, activity:9500554, activity:9503198, activity:9534560, activity:9675342, activity:9708046, activity:9754635, activity:9779604, activity:9854731, activity:9883746, activity:9921773, activity:9955148, activity:9992252, activity:10046879, activity:10072592, activity:10159603, activity:10162145, activity:10217689, activity:10245943, activity:10294413, activity:10364596, activity:10388220, activity:10434518, activity:10485799, activity:10583165, activity:10604867, activity:10667625, activity:10691925