310261

Source:http://linkedlifedata.com/resource/chembl/compound/310261

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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/C29H30N6O4/c30-11-10-24(29(38)35-14-12-31-13-15-35)34-28(37)26-9-8-25(39-26)20-5-3-6-22(17-20)33-27(36)21-16-19-4-1-2-7-23(19)32-18-21/h1-9,16-18,24,31H,10-15,30H2,(H,33,36)(H,34,37)/t24-/m1/s1
chemicalCompound:standardIn...	DVORGEUMXLWSBH-XMMPIXPASA-N
chemicalCompound:canonicalS...	NCC[C@@H](NC(=O)c1oc(cc1)c2cccc(NC(=O)c3cnc4ccccc4c3)c2)C(=O)N5CCNCC5
chemicalCompound:molecularF...	C29 H30 N6 O4
chemicalCompound:moleculeId	310261
chemicalCompound:mwFreebase	526.586
chemicalCompound:alogp	1.27
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	142.59
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.833
chemicalCompound:acdLogP	1.016
chemicalCompound:acdLogD	-1.7
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	526.586
chemicalCompound:acdMostBpk...	9.143
chemicalCompound:chemblId	CHEMBL184541
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:410261
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:1453394, activity:1453395, activity:1453396