1102664

Source:http://linkedlifedata.com/resource/chembl/compound/1102664

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/C22H26N2O7/c1-29-17-8-7-14(11-18(17)30-2)12-23-19(25)13-31-20(26)9-10-24-21(27)15-5-3-4-6-16(15)22(24)28/h3-4,7-8,11,15-16H,5-6,9-10,12-13H2,1-2H3,(H,23,25)
chemicalCompound:standardIn...	ISJPCFBAGOXDRP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(CNC(=O)COC(=O)CCN2C(=O)C3CC=CCC3C2=O)cc1OC
chemicalCompound:molecularF...	C22H26N2O7
chemicalCompound:moleculeId	1102664
chemicalCompound:mwFreebase	430.451
chemicalCompound:alogp	1
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	111.24
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.16
chemicalCompound:acdLogP	0.143
chemicalCompound:acdLogD	0.143
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	430.451
chemicalCompound:chemblId	CHEMBL1721933
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1202664
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:5556033, activity:6753737