379008

Source:http://linkedlifedata.com/resource/chembl/compound/379008

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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/C26H27Cl2N7O/c1-18(27)16-35(22-7-9-23(36-2)10-8-22)13-12-31-34-33-21-6-11-25-24(15-21)26(30-17-29-25)32-20-5-3-4-19(28)14-20/h3-11,14-15,17-18H,12-13,16H2,1-2H3,(H,31,33)(H,29,30,32)
chemicalCompound:standardIn...	OQMCTCBSARHFKL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)N(CCNN=Nc2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)CC(C)Cl
chemicalCompound:molecularF...	C26 H27 Cl2 N7 O
chemicalCompound:moleculeId	379008
chemicalCompound:mwFreebase	524.445
chemicalCompound:alogp	6.519
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	87.03
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.383
chemicalCompound:acdLogD	5.375
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	524.445
chemicalCompound:acdMostBpk...	5.346
chemicalCompound:chemblId	CHEMBL225721
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:479008
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:1881008, activity:1881015, activity:1881021, activity:1881027