122253

Source:http://linkedlifedata.com/resource/chembl/compound/122253

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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/C31H32N6O5/c1-4-6-14-27-32-26-13-9-12-25(30(38)41-20(3)42-31(39)40-5-2)28(26)37(27)19-21-15-17-22(18-16-21)23-10-7-8-11-24(23)29-33-35-36-34-29/h7-13,15-18,20H,4-6,14,19H2,1-3H3,(H,33,34,35,36)
chemicalCompound:standardIn...	NXVJZGNXNUTXSE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCc1nc2cccc(C(=O)OC(C)OC(=O)OCC)c2n1Cc3ccc(cc3)c4ccccc4c5nn[nH]n5
chemicalCompound:molecularF...	C31 H32 N6 O5
chemicalCompound:moleculeId	122253
chemicalCompound:mwFreebase	568.623
chemicalCompound:alogp	6.81
chemicalCompound:hba	9
chemicalCompound:hbd	1
chemicalCompound:psa	134.1
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.246
chemicalCompound:acdLogP	7.439
chemicalCompound:acdLogD	5.469
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	568.623
chemicalCompound:acdMostBpk...	4.1
chemicalCompound:chemblId	CHEMBL78068
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:222253
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:1216956, activity:1216957, activity:1216958, activity:1216959, activity:1216960, activity:1216961, activity:1216962