274667

Source:http://linkedlifedata.com/resource/chembl/compound/274667

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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/C30H32N4O3S/c1-37-28(35)22-12-13-27-25(20-22)33(24-10-5-6-11-26(24)38-27)17-7-16-32-18-14-30(15-19-32)29(36)31-21-34(30)23-8-3-2-4-9-23/h2-6,8-13,20H,7,14-19,21H2,1H3,(H,31,36)
chemicalCompound:standardIn...	MDLDVQUKPNNPTE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)c1ccc2Sc3ccccc3N(CCCN4CCC5(CC4)N(CNC5=O)c6ccccc6)c2c1
chemicalCompound:molecularF...	C30 H32 N4 O3 S
chemicalCompound:moleculeId	274667
chemicalCompound:mwFreebase	528.665
chemicalCompound:alogp	4.644
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	90.42
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.67
chemicalCompound:acdLogD	4.142
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	528.665
chemicalCompound:acdMostBpk...	8.982
chemicalCompound:chemblId	CHEMBL354016
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:374667
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:934885