172761

Source:http://linkedlifedata.com/resource/chembl/compound/172761

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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/C30H37N5O4S/c1-2-3-4-12-28(36)34-15-17-35(18-16-34)30(37)27(20-22-8-7-11-25(19-22)29(31)32)33-40(38,39)26-14-13-23-9-5-6-10-24(23)21-26/h5-11,13-14,19,21,27,33H,2-4,12,15-18,20H2,1H3,(H3,31,32)
chemicalCompound:standardIn...	CROIYCWSNRBUTI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCC(=O)N1CCN(CC1)C(=O)C(Cc2cccc(c2)C(=N)N)NS(=O)(=O)c3ccc4ccccc4c3
chemicalCompound:molecularF...	C30 H37 N5 O4 S
chemicalCompound:moleculeId	172761
chemicalCompound:mwFreebase	563.711
chemicalCompound:alogp	3.264
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	145.04
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.401
chemicalCompound:acdLogP	1.975
chemicalCompound:acdLogD	-0.031
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	563.711
chemicalCompound:acdMostBpk...	11.719
chemicalCompound:chemblId	CHEMBL326013
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:272761
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:682127, activity:682128, activity:682129, activity:682130