544674

Source:http://linkedlifedata.com/resource/chembl/compound/544674

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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:666682
chemicalCompound:standardIn...	InChI=1S/C20H24N10O5.ClH/c1-27-10-13(8-14(27)18(32)23-4-3-16(21)22)26-19(33)15-7-12(9-28(15)2)25-17(31)11-29-6-5-24-20(29)30(34)35;/h5-10H,3-4,11H2,1-2H3,(H3,21,22)(H,23,32)(H,25,31)(H,26,33);1H
chemicalCompound:standardIn...	LCISUKIYDXKOJM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cn1cc(NC(=O)c2cc(NC(=O)Cn3ccnc3[N+](=O)[O-])cn2C)cc1C(=O)NCCC(=N)N
chemicalCompound:molecularF...	C20H25ClN10O5
chemicalCompound:moleculeId	544674
chemicalCompound:mwFreebase	484.469
chemicalCompound:alogp	-0.673
chemicalCompound:hba	7
chemicalCompound:hbd	5
chemicalCompound:psa	210.67
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.031
chemicalCompound:acdLogP	0
chemicalCompound:acdLogD	-1.997
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	520.93
chemicalCompound:acdMostBpk...	11.733
chemicalCompound:chemblId	CHEMBL544019
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:644674
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:171701, activity:171702, activity:171703, activity:171704