30874

Source:http://linkedlifedata.com/resource/chembl/compound/30874

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/C18H24N4O2/c1-24-17-7-3-2-6-16(17)22-13-11-21(12-14-22)10-9-20-18(23)15-5-4-8-19-15/h2-8,19H,9-14H2,1H3,(H,20,23)
chemicalCompound:standardIn...	QCDUWXTWVDOIDM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccccc1N2CCN(CCNC(=O)c3ccc[nH]3)CC2
chemicalCompound:molecularF...	C18 H24 N4 O2
chemicalCompound:moleculeId	30874
chemicalCompound:mwFreebase	328.409
chemicalCompound:alogp	2.174
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	60.6
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.892
chemicalCompound:acdLogD	1.691
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	328.409
chemicalCompound:acdMostBpk...	7.192
chemicalCompound:chemblId	CHEMBL278799
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:130874
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:601837, activity:813205, activity:813206, activity:813207, activity:813208, activity:813209