1314733

Source:http://linkedlifedata.com/resource/chembl/compound/1314733

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/C31H21NO7/c33-26(20-13-5-4-12-19(20)18-10-2-1-3-11-18)25(28-21-14-6-7-15-22(21)31(38)39-28)27(34)29(35)32-24-17-9-8-16-23(24)30(36)37/h1-17,25,28H,(H,32,35)(H,36,37)
chemicalCompound:standardIn...	LAHGJCLPEBQCAA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)c1ccccc1NC(=O)C(=O)C(C2OC(=O)c3ccccc23)C(=O)c4ccccc4c5ccccc5
chemicalCompound:molecularF...	C31H21NO7
chemicalCompound:moleculeId	1314733
chemicalCompound:mwFreebase	519.501
chemicalCompound:alogp	4.757
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	126.84
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.15
chemicalCompound:acdLogP	4.144
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	519.501
chemicalCompound:chemblId	CHEMBL1993442
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1414733
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:8254571, activity:8304109, activity:8314875, activity:8405171, activity:8498179, activity:8515683, activity:8592455, activity:8648067, activity:8657888, activity:8664725, activity:8768588, activity:8775679, activity:8800774, activity:8903825, activity:8933298, activity:8971659, activity:9020287, activity:9072349, activity:9097732, activity:9144116, activity:9184487, activity:9222383, activity:9292556, activity:9294423, activity:9305935, activity:9361003, activity:9430657, activity:9433277, activity:9439785, activity:9446484, activity:9683800, activity:9698135, activity:9721092, activity:9763480, activity:9788137, activity:9867833, activity:9896835, activity:9930738, activity:9964094, activity:10079797, activity:10081288, activity:10091531, activity:10168540, activity:10200120, activity:10254911, activity:10331397, activity:10377582, activity:10427102, activity:10447128, activity:10488572, activity:10498867, activity:10551015, activity:10595774, activity:10607428, activity:10613566, activity:10705025, activity:10782535, activity:10797988, activity:10814162