255340

Source:http://linkedlifedata.com/resource/chembl/compound/255340

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:255340_Rolodine_OTHER
chemicalCompound:standardIn...	InChI=1S/C14H14N4/c1-10-17-13-12(7-8-15-13)14(18-10)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H2,15,16,17,18)
chemicalCompound:standardIn...	HPZHFGBKCGWNGN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1nc(NCc2ccccc2)c3cc[nH]c3n1
chemicalCompound:molecularF...	C14 H14 N4
chemicalCompound:moleculeId	255340
chemicalCompound:mwFreebase	238.288
chemicalCompound:alogp	1.958
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	53.6
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.475
chemicalCompound:acdLogP	2.621
chemicalCompound:acdLogD	2.563
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	238.288
chemicalCompound:acdMostBpk...	6.383
chemicalCompound:chemblId	CHEMBL347425
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:355340
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:221146, activity:933413, activity:4231144, activity:4353014, activity:5487326, activity:5645324, activity:5837906, activity:6864102