229847

Source:http://linkedlifedata.com/resource/chembl/compound/229847

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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/C25H30N4O3S/c1-16-6-4-5-7-19(16)21-12-18(13-26-14-23-17(2)27-15-28-23)8-9-20(21)24(30)29-22(25(31)32)10-11-33-3/h4-9,12,15,22,26H,10-11,13-14H2,1-3H3,(H,27,28)(H,29,30)(H,31,32)/t22-/m0/s1
chemicalCompound:standardIn...	NLNMBIZCMPCYLG-QFIPXVFZSA-N
chemicalCompound:canonicalS...	CSCC[C@H](NC(=O)c1ccc(CNCc2[nH]cnc2C)cc1c3ccccc3C)C(=O)O
chemicalCompound:molecularF...	C25 H30 N4 O3 S
chemicalCompound:moleculeId	229847
chemicalCompound:mwFreebase	466.596
chemicalCompound:alogp	0
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	132.41
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.493
chemicalCompound:acdLogP	3.342
chemicalCompound:acdLogD	0.813
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	466.596
chemicalCompound:acdMostBpk...	8.079
chemicalCompound:chemblId	CHEMBL342228
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:329847
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:1195142, activity:1195143, activity:1195144, activity:1195145