592980

Source:http://linkedlifedata.com/resource/chembl/compound/592980

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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/C28H26N4O2/c1-18-25-14-21(9-12-27(25)32-31-18)26-15-24(16-30-28(26)20-7-10-23(33)11-8-20)34-17-22(29)13-19-5-3-2-4-6-19/h2-12,14-16,22,33H,13,17,29H2,1H3,(H,31,32)/t22-/m0/s1
chemicalCompound:standardIn...	RFEGALABMKZYJT-QFIPXVFZSA-N
chemicalCompound:canonicalS...	Cc1n[nH]c2ccc(cc12)c3cc(OC[C@@H](N)Cc4ccccc4)cnc3c5ccc(O)cc5
chemicalCompound:molecularF...	C28H26N4O2
chemicalCompound:moleculeId	592980
chemicalCompound:mwFreebase	450.532
chemicalCompound:alogp	4.917
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	97.05
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.426
chemicalCompound:acdLogP	2.255
chemicalCompound:acdLogD	2.018
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	450.532
chemicalCompound:acdMostBpk...	7.254
chemicalCompound:chemblId	CHEMBL595685
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:692980
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:3075714, activity:3075738