1034451

Source:http://linkedlifedata.com/resource/chembl/compound/1034451

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:111186
chemicalCompound:standardIn...	InChI=1S/C24H26N2O2.ClH/c27-24(28)20-9-10-23-22(16-20)21(17-25-23)8-4-5-13-26-14-11-19(12-15-26)18-6-2-1-3-7-18;/h1-3,6-7,9-11,16-17,25H,4-5,8,12-15H2,(H,27,28);1H
chemicalCompound:standardIn...	LRJUHOBITQUXIO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.OC(=O)c1ccc2[nH]cc(CCCCN3CCC(=CC3)c4ccccc4)c2c1
chemicalCompound:molecularF...	C24H27ClN2O2
chemicalCompound:moleculeId	1034451
chemicalCompound:mwFreebase	374.475
chemicalCompound:alogp	2.112
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	56.33
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.472
chemicalCompound:acdLogP	4.574
chemicalCompound:acdLogD	2.064
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	410.936
chemicalCompound:acdMostBpk...	8.66
chemicalCompound:chemblId	CHEMBL1610567
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1134451
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:3690966, activity:3727097, activity:3781244, activity:3798924, activity:3928304, activity:4387533, activity:4469453, activity:4872139, activity:5567885, activity:7022236, activity:10302156