1304044

Source:http://linkedlifedata.com/resource/chembl/compound/1304044

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/C18H22ClN5O/c19-11-4-3-5-12(10-11)22-18-13(17(21)25)8-9-16(24-18)23-15-7-2-1-6-14(15)20/h3-5,8-10,14-15H,1-2,6-7,20H2,(H2,21,25)(H2,22,23,24)
chemicalCompound:standardIn...	MMFBBQQGBVPLQQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC1CCCCC1Nc2ccc(C(=O)N)c(Nc3cccc(Cl)c3)n2
chemicalCompound:molecularF...	C18H22ClN5O
chemicalCompound:moleculeId	1304044
chemicalCompound:mwFreebase	359.853
chemicalCompound:alogp	3.384
chemicalCompound:hba	5
chemicalCompound:hbd	4
chemicalCompound:psa	106.06
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.276
chemicalCompound:acdLogD	2.386
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	359.853
chemicalCompound:acdMostBpk...	9.918
chemicalCompound:chemblId	CHEMBL1982753
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1404044
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:9507029, activity:9507527, activity:9511188, activity:9511234, activity:9511362, activity:9511869, activity:9512101, activity:9512315, activity:9516691, activity:9519846, activity:9527740, activity:9528280, activity:9532022, activity:9537216, activity:9556703, activity:9557045, activity:9560536, activity:9569308, activity:9570203, activity:9572048, activity:9573324, activity:9573716, activity:9573927, activity:9574402, activity:9577416, activity:9578798, activity:9579718, activity:9584256, activity:9585189, activity:9588415, activity:9589397, activity:9590793, activity:9594322, activity:9594793, activity:9595362, activity:9595913, activity:9596645, activity:9603199, activity:9604341, activity:9609547, activity:9619973, activity:9623203, activity:9623848, activity:9624660, activity:9627053, activity:9627995, activity:9644504, activity:9648835, activity:9653292, activity:9660937, activity:9665721, activity:9698328