511810

Source:http://linkedlifedata.com/resource/chembl/compound/511810

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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/C28H25N3O3/c1-2-34-20-14-12-19(13-15-20)26-25-22(21-10-6-7-11-23(21)29-25)16-24-27(32)30(28(33)31(24)26)17-18-8-4-3-5-9-18/h3-15,24,26,29H,2,16-17H2,1H3/t24-,26+/m1/s1
chemicalCompound:standardIn...	LFENEOIFAJXLSV-RSXGOPAZSA-N
chemicalCompound:canonicalS...	CCOc1ccc(cc1)[C@@H]2N3[C@H](Cc4c2[nH]c5ccccc45)C(=O)N(Cc6ccccc6)C3=O
chemicalCompound:molecularF...	C28H25N3O3
chemicalCompound:moleculeId	511810
chemicalCompound:mwFreebase	451.516
chemicalCompound:alogp	5.051
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	65.64
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.331
chemicalCompound:acdLogD	5.331
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	451.516
chemicalCompound:chemblId	CHEMBL458713
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:611810
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:2566980