684573

Source:http://linkedlifedata.com/resource/chembl/compound/684573

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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/C24H28N4O5S/c1-27-12-6-10-17(27)21(30)25-11-5-9-16-14-34-23-19(22(31)28(23)20(16)24(32)33)26-18(29)13-15-7-3-2-4-8-15/h2-5,7-9,17,19,23H,6,10-14H2,1H3,(H,25,30)(H,26,29)(H,32,33)/b9-5+/t17?,19-,23-/m1/s1
chemicalCompound:standardIn...	QCXLPHYWFHGXKW-KIHQHCLZSA-N
chemicalCompound:canonicalS...	CN1CCCC1C(=O)NC\C=C\C2=C(N3[C@H](SC2)[C@H](NC(=O)Cc4ccccc4)C3=O)C(=O)O
chemicalCompound:molecularF...	C24H28N4O5S
chemicalCompound:moleculeId	684573
chemicalCompound:mwFreebase	484.568
chemicalCompound:alogp	-2.158
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	144.35
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.714
chemicalCompound:acdLogP	-0.48
chemicalCompound:acdLogD	-3.015
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	484.568
chemicalCompound:acdMostBpk...	8.75
chemicalCompound:chemblId	CHEMBL1210757
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:784573
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:3372700, activity:3372701, activity:3372702, activity:3372703, activity:3372704, activity:3372705