545900

Source:http://linkedlifedata.com/resource/chembl/compound/545900

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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:666534
chemicalCompound:standardIn...	InChI=1S/C27H35N3O4S.ClH/c1-2-8-23-26-24(13-18-29(26)25(31)14-17-28-15-6-3-7-16-28)30(27(23)32)35(33,34)22-12-11-20-9-4-5-10-21(20)19-22;/h4-5,9-12,19,23-24,26H,2-3,6-8,13-18H2,1H3;1H/t23?,24-,26?;/m0./s1
chemicalCompound:standardIn...	KHHUXIAXKKCTCB-YROYTWHESA-N
chemicalCompound:canonicalS...	Cl.CCC[C@@H]1C2[C@H](CCN2C(=O)CCN3CCCCC3)N(C1=O)S(=O)(=O)c4ccc5ccccc5c4
chemicalCompound:molecularF...	C27H36ClN3O4S
chemicalCompound:moleculeId	545900
chemicalCompound:mwFreebase	497.649
chemicalCompound:alogp	3.456
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	86.38
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.37
chemicalCompound:acdLogD	2.943
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	534.11
chemicalCompound:acdMostBpk...	8.933
chemicalCompound:chemblId	CHEMBL543841
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:645900
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:1017413, activity:1017414, activity:1017415, activity:1017416, activity:1017417, activity:1017418, activity:1017419, activity:1017420, activity:1017421, activity:1017422