42263

Source:http://linkedlifedata.com/resource/chembl/compound/42263

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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/C29H37N3O5/c1-2-3-7-18-30-21-26-31(29(36)37-20-17-23-10-13-24(33)14-11-23)19-16-27(34)32(26)25(28(30)35)15-12-22-8-5-4-6-9-22/h4-6,8-11,13-14,25-26,33H,2-3,7,12,15-21H2,1H3/t25-,26+/m0/s1
chemicalCompound:standardIn...	JRWQCSBKQKOWFS-IZZNHLLZSA-N
chemicalCompound:canonicalS...	CCCCCN1C[C@@H]2N(CCC(=O)N2[C@@H](CCc3ccccc3)C1=O)C(=O)OCCc4ccc(O)cc4
chemicalCompound:molecularF...	C29 H37 N3 O5
chemicalCompound:moleculeId	42263
chemicalCompound:mwFreebase	507.621
chemicalCompound:alogp	4.783
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	90.39
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.935
chemicalCompound:acdLogP	4.899
chemicalCompound:acdLogD	4.898
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	507.621
chemicalCompound:chemblId	CHEMBL31414
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:142263
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:853143, activity:853144, activity:853145, activity:853146, activity:853147, activity:853148