511668

Source:http://linkedlifedata.com/resource/chembl/compound/511668

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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/C23H23N3O3/c1-3-25-22(27)19-13-17-16-7-5-6-8-18(16)24-20(17)21(26(19)23(25)28)14-9-11-15(12-10-14)29-4-2/h5-12,19,21,24H,3-4,13H2,1-2H3/t19-,21-/m1/s1
chemicalCompound:standardIn...	OCJJEAAQPFYCNP-TZIWHRDSSA-N
chemicalCompound:canonicalS...	CCOc1ccc(cc1)[C@H]2N3[C@H](Cc4c2[nH]c5ccccc45)C(=O)N(CC)C3=O
chemicalCompound:molecularF...	C23H23N3O3
chemicalCompound:moleculeId	511668
chemicalCompound:mwFreebase	389.447
chemicalCompound:alogp	3.816
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	65.64
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.144
chemicalCompound:acdLogD	4.144
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	389.447
chemicalCompound:chemblId	CHEMBL515979
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:611668
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:2566983