730418

Source:http://linkedlifedata.com/resource/chembl/compound/730418

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C15H17N3O/c1-2-18-9-8-14(17-18)15(19)16-13-7-6-11-4-3-5-12(11)10-13/h6-10H,2-5H2,1H3,(H,16,19)
chemicalCompound:standardIn...	CZCPLPPLIHHGEL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCn1ccc(n1)C(=O)Nc2ccc3CCCc3c2
chemicalCompound:molecularF...	C15H17N3O
chemicalCompound:moleculeId	730418
chemicalCompound:mwFreebase	255.315
chemicalCompound:alogp	3.098
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	46.92
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.168
chemicalCompound:acdLogP	3.369
chemicalCompound:acdLogD	3.369
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	255.315
chemicalCompound:acdMostBpk...	0.976
chemicalCompound:chemblId	CHEMBL1306534
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:830418
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:3817513, activity:3846356, activity:4255406, activity:4712621, activity:4811177, activity:4895423, activity:4934303, activity:5331001, activity:5427999, activity:5577884, activity:5653414, activity:7151286, activity:7429314, activity:10050309