125211

Source:http://linkedlifedata.com/resource/chembl/compound/125211

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C19H23N3O4/c1-10-9-26-18-15(21-6-5-12(7-21)11(2)20)4-3-13-16(18)22(10)8-14(17(13)23)19(24)25/h3-4,8,10-12H,5-7,9,20H2,1-2H3,(H,24,25)/t10-,11-,12+/m0/s1
chemicalCompound:standardIn...	HDXJPDOHAKUTIK-SDDRHHMPSA-N
chemicalCompound:canonicalS...	C[C@H](N)[C@@H]1CCN(C1)c2ccc3C(=O)C(=CN4[C@@H](C)COc2c34)C(=O)O
chemicalCompound:molecularF...	C19 H23 N3 O4
chemicalCompound:moleculeId	125211
chemicalCompound:mwFreebase	357.404
chemicalCompound:alogp	-1.333
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	96.1
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.642
chemicalCompound:acdLogP	2.193
chemicalCompound:acdLogD	-0.313
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	357.404
chemicalCompound:acdMostBpk...	10.585
chemicalCompound:chemblId	CHEMBL79077
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:225211
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:1034822, activity:1034823, activity:1034824, activity:1034825, activity:1034826, activity:1034827, activity:1034828, activity:1034829, activity:1034830, activity:1034831, activity:1034832, activity:1034833, activity:1034834, activity:1034835, activity:1034836, activity:1034837, activity:1034838, activity:1034839, activity:1034840, activity:1034841, activity:1034842, activity:1034843, activity:1034844, activity:1034845, activity:1034846, activity:1034847, activity:1034848