910919

Source:http://linkedlifedata.com/resource/chembl/compound/910919

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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/C21H21N3O5S2/c25-17(22-10-15-2-1-8-29-15)12-31-21-23-16-7-9-30-18(16)19(26)24(21)11-13-3-5-14(6-4-13)20(27)28/h3-7,9,15H,1-2,8,10-12H2,(H,22,25)(H,27,28)
chemicalCompound:standardIn...	GLAAVHKHXCMMFM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)c1ccc(CN2C(=O)c3sccc3N=C2SCC(=O)NCC4CCCO4)cc1
chemicalCompound:molecularF...	C21H21N3O5S2
chemicalCompound:moleculeId	910919
chemicalCompound:mwFreebase	459.539
chemicalCompound:alogp	2.821
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	161.84
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.206
chemicalCompound:acdLogP	2.274
chemicalCompound:acdLogD	-0.597
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	459.539
chemicalCompound:chemblId	CHEMBL1487035
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1010919
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:4738234, activity:4799798, activity:5412856, activity:5513795, activity:5865085, activity:6584881, activity:7037448