850888

Source:http://linkedlifedata.com/resource/chembl/compound/850888

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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/C16H15N3O/c1-11-4-2-9-18-16(11)19-10-12-6-7-14(20)15-13(12)5-3-8-17-15/h2-9,20H,10H2,1H3,(H,18,19)
chemicalCompound:standardIn...	MGGAFSYXLMNOHY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cccnc1NCc2ccc(O)c3ncccc23
chemicalCompound:molecularF...	C16H15N3O
chemicalCompound:moleculeId	850888
chemicalCompound:mwFreebase	265.31
chemicalCompound:alogp	2.568
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	58.04
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.731
chemicalCompound:acdLogP	2.209
chemicalCompound:acdLogD	1.195
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	265.31
chemicalCompound:acdMostBpk...	9.679
chemicalCompound:chemblId	CHEMBL1427004
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:950888
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:3636472, activity:3643572, activity:3698272, activity:3721052, activity:3769329, activity:3781722, activity:3842277, activity:4004103, activity:4039982, activity:4091272, activity:4173400, activity:4322643, activity:4405087, activity:4416253, activity:4449789, activity:4463639, activity:4493646, activity:4529280, activity:4596190, activity:4605827, activity:4621360, activity:4885680, activity:4935447, activity:4979145, activity:5400634, activity:5410979, activity:5460981, activity:5571628, activity:5651053, activity:5738621, activity:5778578, activity:5828870, activity:6587423, activity:6731412, activity:6778785, activity:7060891, activity:7163677, activity:7309496, activity:7356530, activity:7461162, activity:7541751