934998

Source:http://linkedlifedata.com/resource/chembl/compound/934998

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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/C31H25N3O6/c32-30(36)19-9-11-21(12-10-19)33-27(35)16-38-31(37)28-22-5-1-2-7-24(22)34-29-20(4-3-6-23(28)29)14-18-8-13-25-26(15-18)40-17-39-25/h1-2,5,7-15H,3-4,6,16-17H2,(H2,32,36)(H,33,35)/b20-14-
chemicalCompound:standardIn...	XXNQHKWOIVIKCS-ZHZULCJRSA-N
chemicalCompound:canonicalS...	NC(=O)c1ccc(NC(=O)COC(=O)c2c3CCC\C(=C\c4ccc5OCOc5c4)\c3nc6ccccc26)cc1
chemicalCompound:molecularF...	C31H25N3O6
chemicalCompound:moleculeId	934998
chemicalCompound:mwFreebase	535.547
chemicalCompound:alogp	4.71
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	129.84
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.838
chemicalCompound:acdLogP	5.189
chemicalCompound:acdLogD	5.189
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	535.547
chemicalCompound:acdMostBpk...	2.227
chemicalCompound:chemblId	CHEMBL1511114
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1034998
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:3620206, activity:3630210, activity:3655178, activity:3735360, activity:3754147, activity:3767841, activity:3809420, activity:3902637, activity:3963934, activity:3995314, activity:4057464, activity:4186995, activity:4275617, activity:4489989, activity:4527095, activity:4591638, activity:4813277, activity:4905700, activity:4959867, activity:4962269, activity:5449980, activity:5769733, activity:5942301, activity:6457504, activity:6459104, activity:6674142, activity:6762913, activity:6869373, activity:6997467, activity:7067319, activity:7252462, activity:7263984, activity:7293256, activity:7369032, activity:7395261, activity:7440759, activity:7552184, activity:10638106