1249135

Source:http://linkedlifedata.com/resource/chembl/compound/1249135

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:389354
chemicalCompound:standardIn...	InChI=1S/C22H18ClN5O4.ClH/c1-31-22(30)28-20-26-18-10-9-17(12-19(18)27-20)32-16-7-5-14(6-8-16)24-21(29)25-15-4-2-3-13(23)11-15;/h2-12H,1H3,(H2,24,25,29)(H2,26,27,28,30);1H
chemicalCompound:standardIn...	GCMIPJOZVCEMOU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)cc2[nH]1
chemicalCompound:molecularF...	C22H19Cl2N5O4
chemicalCompound:moleculeId	1249135
chemicalCompound:mwFreebase	451.862
chemicalCompound:alogp	4.568
chemicalCompound:hba	5
chemicalCompound:hbd	4
chemicalCompound:psa	117.37
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.348
chemicalCompound:acdLogP	4.595
chemicalCompound:acdLogD	4.585
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	488.323
chemicalCompound:acdMostBpk...	5.486
chemicalCompound:chemblId	CHEMBL1909364
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1349135
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:8104100, activity:8104101, activity:8104102, activity:8104103, activity:8104104, activity:8104105, activity:8104106, activity:8104107, activity:8104108, activity:8104109, activity:8104110, activity:8104111, activity:8104112, activity:8104113, activity:8104114, activity:8104115, activity:8104116, activity:8104117, activity:8104118, activity:8104119, activity:8104120, activity:8104121, activity:8104122, activity:8104123, activity:8104124, activity:8104125, activity:8104126, activity:8104127, activity:8104128, activity:8104129, activity:8104130, activity:8104131, activity:8104132, activity:8104133, activity:8104134, activity:8104135, activity:8104136, activity:8104137, activity:8104138, activity:8104139, activity:8104140, activity:8104141, activity:8104142, activity:8104143, activity:8104144, activity:8104145, activity:8104146, activity:8104147, activity:8104148, activity:8104149, activity:8104150, activity:8104151, activity:8104152, activity:8104153, activity:8104154, activity:8104155, activity:8104156, activity:8104157, activity:8104158, activity:8104159, activity:8104160, activity:8104161, activity:8104162, activity:8104163, activity:8104164