730592

Source:http://linkedlifedata.com/resource/chembl/compound/730592

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/C13H11N3/c1-2-7-16-8-5-12(6-9-16)3-4-13(10-14)11-15/h2-6,8-9H,1,7H2
chemicalCompound:standardIn...	CJMFUFWDOCCMHN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C=CCN1C=CC(=CC=C(C#N)C#N)C=C1
chemicalCompound:molecularF...	C13H11N3
chemicalCompound:moleculeId	730592
chemicalCompound:mwFreebase	209.247
chemicalCompound:alogp	1.239
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	50.82
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	0.57
chemicalCompound:acdLogD	0.57
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	209.247
chemicalCompound:acdMostBpk...	2.973
chemicalCompound:chemblId	CHEMBL1306708
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:830592
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:3608094, activity:3632857, activity:3794477, activity:4049991, activity:4253753, activity:4277595, activity:4340618, activity:4682974, activity:4749500, activity:4818989, activity:4898133, activity:5051405, activity:5503010, activity:5695365, activity:5722230, activity:5887978, activity:5963738, activity:6457159, activity:6597458, activity:6762042, activity:6775609, activity:7177601, activity:7244027, activity:7312775, activity:7407411, activity:9774269, activity:10543403