11540

Source:http://linkedlifedata.com/resource/chembl/compound/11540

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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/C21H22N2O7/c1-23(2)15-10-7-9-6-8-4-3-5-11(24)12(8)16(25)13(9)18(27)21(10,30)19(28)14(17(15)26)20(22)29/h3-5,9-10,15,24-25,28,30H,6-7H2,1-2H3,(H2,22,29)/t9?,10-,15-,21-/m0/s1
chemicalCompound:standardIn...	MTCQOMXDZUULRV-FSYDBBCFSA-N
chemicalCompound:canonicalS...	CN(C)[C@H]1[C@@H]2CC3Cc4cccc(O)c4C(=C3C(=O)[C@]2(O)C(=C(C(=O)N)C1=O)O)O
chemicalCompound:molecularF...	C21 H22 N2 O7
chemicalCompound:moleculeId	11540
chemicalCompound:mwFreebase	414.409
chemicalCompound:alogp	-0.182
chemicalCompound:hba	8
chemicalCompound:hbd	5
chemicalCompound:psa	161.38
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.5
chemicalCompound:acdLogP	5.427
chemicalCompound:acdLogD	2.18
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	414.409
chemicalCompound:acdMostBpk...	5.54
chemicalCompound:chemblId	CHEMBL275485
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:111540
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	SANCYCLINE
chemicalCompound:activity	activity:106439, activity:139497, activity:139498, activity:139499, activity:139500, activity:139501, activity:139502, activity:139503, activity:139504, activity:139505, activity:139506, activity:272644