1294352

Source:http://linkedlifedata.com/resource/chembl/compound/1294352

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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:1329757
chemicalCompound:standardIn...	InChI=1S/C21H25N3.ClH/c1-3-9-16(10-4-1)20-15-21(22-17-11-5-2-6-12-17)24-19-14-8-7-13-18(19)23-20;/h1,3-4,7-10,13-14,17,20,23H,2,5-6,11-12,15H2,(H,22,24);1H
chemicalCompound:standardIn...	ZJSFNLBWLQAUIH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.C1CCC(CC1)NC2=Nc3ccccc3NC(C2)c4ccccc4
chemicalCompound:molecularF...	C21H26ClN3
chemicalCompound:moleculeId	1294352
chemicalCompound:mwFreebase	319.443
chemicalCompound:alogp	4.424
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	36.42
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.694
chemicalCompound:acdLogD	3.535
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	355.904
chemicalCompound:acdMostBpk...	7.203
chemicalCompound:chemblId	CHEMBL1973061
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1394352
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:8226742, activity:8237258, activity:8358236, activity:8368891, activity:8392059, activity:8480577, activity:8545346, activity:8630378, activity:8642059, activity:8713361, activity:8715232, activity:8751037, activity:8762450, activity:8848446, activity:8855222, activity:8886299, activity:8954256, activity:8991380, activity:9054667, activity:9062068, activity:9151018, activity:9171133, activity:9272790, activity:9279482, activity:9343572, activity:9413243, activity:9415833, activity:9496390, activity:9498919, activity:9505870, activity:9667292, activity:9703725, activity:9771453, activity:9850594, activity:9879627, activity:9917643, activity:10020893, activity:10025038, activity:10064393, activity:10155305, activity:10241761, activity:10266068, activity:10268601, activity:10360571, activity:10388259, activity:10430625, activity:10453975, activity:10485813, activity:10579118, activity:10661322, activity:10663627, activity:10687748, activity:10765146, activity:10785164