19298

Source:http://linkedlifedata.com/resource/chembl/compound/19298

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/C19H29N3O/c1-21(19(23)18(20)15-9-3-2-4-10-15)16-11-5-6-12-17(16)22-13-7-8-14-22/h2-4,9-10,16-18H,5-8,11-14,20H2,1H3/t16-,17-,18-/m0/s1
chemicalCompound:standardIn...	WTLHJSNHSYNTKJ-BZSNNMDCSA-N
chemicalCompound:canonicalS...	CN([C@H]1CCCC[C@@H]1N2CCCC2)C(=O)[C@@H](N)c3ccccc3
chemicalCompound:molecularF...	C19 H29 N3 O
chemicalCompound:moleculeId	19298
chemicalCompound:mwFreebase	315.453
chemicalCompound:alogp	2.367
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	49.57
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.189
chemicalCompound:acdLogD	0.434
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	315.453
chemicalCompound:acdMostBpk...	9.207
chemicalCompound:chemblId	CHEMBL17328
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:119298
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:96805, activity:8266825, activity:8268372, activity:8317980, activity:8328637, activity:8422991, activity:8482803, activity:8507256, activity:8524990, activity:8563585, activity:8590173, activity:8601665, activity:8669411, activity:8671538, activity:8782176, activity:8793656, activity:8798727, activity:8810218, activity:8917633, activity:8951635, activity:8985295, activity:9014216, activity:9080302, activity:9082411, activity:9111314, activity:9202582, activity:9233101, activity:9239981, activity:9299856, activity:9376172, activity:9453148, activity:9526425, activity:9696460, activity:9734623, activity:9840094, activity:9881489, activity:9948554, activity:9988252, activity:10046934, activity:10047462, activity:10094601, activity:10157799, activity:10198062, activity:10290380, activity:10296468, activity:10344983, activity:10391230, activity:10407083, activity:10460545, activity:10512475, activity:10611935, activity:10622428, activity:10718676, activity:10745929