411023

Source:http://linkedlifedata.com/resource/chembl/compound/411023

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:411023_CEP-6800_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C18H15N3O2/c19-7-8-4-5-12-11(6-8)13-15-14(17(22)21-18(15)23)9-2-1-3-10(9)16(13)20-12/h4-6,20H,1-3,7,19H2,(H,21,22,23)
chemicalCompound:standardIn...	SDXBGOVSVBZDFL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NCc1ccc2[nH]c3c4CCCc4c5C(=O)NC(=O)c5c3c2c1
chemicalCompound:molecularF...	C18H15N3O2
chemicalCompound:moleculeId	411023
chemicalCompound:mwFreebase	305.331
chemicalCompound:alogp	2.312
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	87.98
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.377
chemicalCompound:acdLogP	2.53
chemicalCompound:acdLogD	0.928
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	305.331
chemicalCompound:acdMostBpk...	9.11
chemicalCompound:chemblId	CHEMBL247374
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:511023
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:2013557, activity:2013587, activity:2013588, activity:2471586, activity:2471588, activity:2471590, activity:2471592