18690

Source:http://linkedlifedata.com/resource/chembl/compound/18690

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C28H34N4O4/c33-23(34)16-13-19-11-14-22(15-12-19)25-29-24-26(30-25)31(17-20-7-3-1-4-8-20)28(36)32(27(24)35)18-21-9-5-2-6-10-21/h11-16,20-21H,1-10,17-18H2,(H,29,30)(H,33,34)/b16-13+
chemicalCompound:standardIn...	LERWZBXJAOSNBN-DTQAZKPQSA-N
chemicalCompound:canonicalS...	OC(=O)\C=C\c1ccc(cc1)c2nc3C(=O)N(CC4CCCCC4)C(=O)N(CC5CCCCC5)c3[nH]2
chemicalCompound:molecularF...	C28 H34 N4 O4
chemicalCompound:moleculeId	18690
chemicalCompound:mwFreebase	490.594
chemicalCompound:alogp	5.816
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	106.6
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.288
chemicalCompound:acdLogP	5.206
chemicalCompound:acdLogD	2.18
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	490.594
chemicalCompound:acdMostBpk...	0.923
chemicalCompound:chemblId	CHEMBL17103
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:118690
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:48306, activity:48307, activity:48308, activity:48309, activity:48310, activity:48311, activity:48312, activity:48313, activity:48314