1314069

Source:http://linkedlifedata.com/resource/chembl/compound/1314069

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:134721
chemicalCompound:standardIn...	InChI=1S/C20H24N4O2.ClH/c1-13-7-5-8-15-18(13)22-19-14(2)9-10-16(24(25)26)17(19)20(15)21-11-6-12-23(3)4;/h5,7-10H,6,11-12H2,1-4H3,(H,21,22);1H
chemicalCompound:standardIn...	MJMCRKZYGYOTHI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CN(C)CCCNc1c2cccc(C)c2nc3c(C)ccc(c13)[N+](=O)[O-]
chemicalCompound:molecularF...	C20H25ClN4O2
chemicalCompound:moleculeId	1314069
chemicalCompound:mwFreebase	352.43
chemicalCompound:alogp	4.229
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	73.98
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.798
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	388.891
chemicalCompound:acdMostBpk...	9.445
chemicalCompound:chemblId	CHEMBL1992778
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1414069
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:8244510, activity:8268177, activity:8317824, activity:8332831, activity:8422813, activity:8444966, activity:8491515, activity:8518327, activity:8529364, activity:8594346, activity:8605994, activity:8675521, activity:8678094, activity:8786343, activity:8793473, activity:8818810, activity:8821232, activity:8893161, activity:8921703, activity:8985197, activity:9018375, activity:9035051, activity:9095439, activity:9115391, activity:9202419, activity:9237427, activity:9239791, activity:9303855, activity:9377730, activity:9380327, activity:9457177, activity:9459770, activity:9551150, activity:9633291, activity:9706430, activity:9738809, activity:9805084, activity:9844058, activity:9885463, activity:9911258, activity:9948372, activity:9998568, activity:10010012, activity:10098666, activity:10183978, activity:10186080, activity:10202081, activity:10300514, activity:10316004, activity:10348878, activity:10390969, activity:10432480, activity:10464399, activity:10516435, activity:10544721, activity:10624725, activity:10630783, activity:10722690, activity:10745746, activity:10799778