410569

Source:http://linkedlifedata.com/resource/chembl/compound/410569

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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/C19H18Cl2N4O2/c20-13-4-5-15(16(21)8-13)19(27,10-25-12-22-11-23-25)9-24-7-6-14-17(24)2-1-3-18(14)26/h4-8,11-12,27H,1-3,9-10H2
chemicalCompound:standardIn...	NKDBYEUZQVNNGE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(Cn1cncn1)(Cn2ccc3C(=O)CCCc23)c4ccc(Cl)cc4Cl
chemicalCompound:molecularF...	C19 H18 Cl2 N4 O2
chemicalCompound:moleculeId	410569
chemicalCompound:mwFreebase	405.278
chemicalCompound:alogp	3.393
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	72.94
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.78
chemicalCompound:acdLogP	0.568
chemicalCompound:acdLogD	0.568
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	405.278
chemicalCompound:acdMostBpk...	2.569
chemicalCompound:chemblId	CHEMBL246154
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:510569
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:2030948, activity:2030965