12165

Source:http://linkedlifedata.com/resource/chembl/compound/12165

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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:601
chemicalCompound:standardIn...	InChI=1S/C20H25N3O.C4H6O6/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14;5-1(3(7)8)2(6)4(9)10/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t14-,18-;/m1./s1
chemicalCompound:standardIn...	HQMPRARIZOUKRO-KEZWHQCISA-N
chemicalCompound:canonicalS...	CCN(CC)C(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34.OC(C(O)C(=O)O)C(=O)O
chemicalCompound:molecularF...	C20 H25 N3 O . C4 H6 O6
chemicalCompound:moleculeId	12165
chemicalCompound:mwFreebase	323.432
chemicalCompound:alogp	2.604
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	39.34
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.712
chemicalCompound:acdLogD	2.373
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	473.519
chemicalCompound:acdMostBpk...	7.413
chemicalCompound:chemblId	CHEMBL269421
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:112165
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:227662