30275

Source:http://linkedlifedata.com/resource/chembl/compound/30275

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:30275_CP-99994_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1
chemicalCompound:standardIn...	DTQNEFOKTXXQKV-HKUYNNGSSA-N
chemicalCompound:canonicalS...	COc1ccccc1CN[C@H]2CCCN[C@H]2c3ccccc3
chemicalCompound:molecularF...	C19 H24 N2 O
chemicalCompound:moleculeId	30275
chemicalCompound:mwFreebase	296.407
chemicalCompound:alogp	3.056
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	33.29
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.251
chemicalCompound:acdLogD	1.103
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	296.407
chemicalCompound:acdMostBpk...	9.159
chemicalCompound:chemblId	CHEMBL441225
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:130275
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	CP-99994
chemicalCompound:activity	activity:101567, activity:101568, activity:101569, activity:101570, activity:101571, activity:101572, activity:101573, activity:101574, activity:101575, activity:101576, activity:152098, activity:383845, activity:383846, activity:419924, activity:419925, activity:419926, activity:419927, activity:419928, activity:419929, activity:452842, activity:508627, activity:592977, activity:623017, activity:630622, activity:730101, activity:730102, activity:730103, activity:730104, activity:730105, activity:730106, activity:730107, activity:730108, activity:800726, activity:874191, activity:874192, activity:874193, activity:874194, activity:874195, activity:920031, activity:937836, activity:978672, activity:984052, activity:984053, activity:984054, activity:1028020, activity:1048903, activity:1052483, activity:1062255, activity:1062256, activity:1062257, activity:1062258, activity:1062259, activity:1164259, activity:1196073, activity:1196074, activity:1196075, activity:1196076, activity:1196077, activity:1226608, activity:1473752, activity:2003421, activity:5084399, activity:6215013