172236

Source:http://linkedlifedata.com/resource/chembl/compound/172236

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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/C35H33N5O4S/c36-33(37)29-11-5-6-24(20-29)21-32(38-45(43,44)31-15-14-26-8-2-4-10-28(26)23-31)35(42)40-18-16-39(17-19-40)34(41)30-13-12-25-7-1-3-9-27(25)22-30/h1-15,20,22-23,32,38H,16-19,21H2,(H3,36,37)
chemicalCompound:standardIn...	GFEYXHFPPRVVOS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N4CCN(CC4)C(=O)c5ccc6ccccc6c5)c1
chemicalCompound:molecularF...	C35 H33 N5 O4 S
chemicalCompound:moleculeId	172236
chemicalCompound:mwFreebase	619.733
chemicalCompound:alogp	3.801
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	145.04
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.401
chemicalCompound:acdLogP	2.355
chemicalCompound:acdLogD	0.349
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	619.733
chemicalCompound:acdMostBpk...	11.719
chemicalCompound:chemblId	CHEMBL105569
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:272236
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:704867, activity:704868, activity:704869, activity:704870