978030

Source:http://linkedlifedata.com/resource/chembl/compound/978030

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/C26H21N3O6/c1-3-34-26(32)17-10-12-18(13-11-17)29-23(15-6-8-16(9-7-15)25(31)33-2)20-21(19-5-4-14-35-19)27-28-22(20)24(29)30/h4-14,23H,3H2,1-2H3,(H,27,28)
chemicalCompound:standardIn...	NFCMUHNNJDNPFT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)c1ccc(cc1)N2C(c3ccc(cc3)C(=O)OC)c4c(n[nH]c4C2=O)c5occc5
chemicalCompound:molecularF...	C26H21N3O6
chemicalCompound:moleculeId	978030
chemicalCompound:mwFreebase	471.461
chemicalCompound:alogp	4.323
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	114.73
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.641
chemicalCompound:acdLogP	4.318
chemicalCompound:acdLogD	4.318
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	471.461
chemicalCompound:chemblId	CHEMBL1554146
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1078030
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:3612743, activity:3813584, activity:3968112, activity:4478616, activity:4515011, activity:4534196, activity:4659335, activity:4915173, activity:5385176, activity:5463589, activity:5739552, activity:6964806, activity:7220834, activity:7230912, activity:7322007, activity:7480881