430776

Source:http://linkedlifedata.com/resource/chembl/compound/430776

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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/C26H26FN3O3S/c27-18-14-17-20(15-21(18)29-12-8-16(9-13-29)28-10-4-1-5-11-28)30-19-6-2-3-7-22(19)34-25(30)23(24(17)31)26(32)33/h2-3,6-7,14-16H,1,4-5,8-13H2,(H,32,33)
chemicalCompound:standardIn...	OUSYJTIZQYMCAC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)C1=C2Sc3ccccc3N2c4cc(N5CCC(CC5)N6CCCCC6)c(F)cc4C1=O
chemicalCompound:molecularF...	C26 H26 F N3 O3 S
chemicalCompound:moleculeId	430776
chemicalCompound:mwFreebase	479.566
chemicalCompound:alogp	2.081
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	89.38
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.091
chemicalCompound:acdLogP	2.498
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	479.566
chemicalCompound:acdMostBpk...	9.362
chemicalCompound:chemblId	CHEMBL258628
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:530776
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:2144161, activity:2144185, activity:2144217, activity:2144241, activity:2144291