430740

Source:http://linkedlifedata.com/resource/chembl/compound/430740

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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/C28H22N4O7S/c33-26-17-12-21(32(36)37)20(13-19(17)31-18-3-1-2-4-24(18)40-27(31)25(26)28(34)35)30-9-7-29(8-10-30)14-16-5-6-22-23(11-16)39-15-38-22/h1-6,11-13H,7-10,14-15H2,(H,34,35)
chemicalCompound:standardIn...	PXHICLCRQNQAHV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)C1=C2Sc3ccccc3N2c4cc(N5CCN(Cc6ccc7OCOc7c6)CC5)c(cc4C1=O)[N+](=O)[O-]
chemicalCompound:molecularF...	C28 H22 N4 O7 S
chemicalCompound:moleculeId	430740
chemicalCompound:mwFreebase	558.562
chemicalCompound:alogp	2.051
chemicalCompound:hba	11
chemicalCompound:hbd	1
chemicalCompound:psa	153.66
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.642
chemicalCompound:acdLogP	2.443
chemicalCompound:acdLogD	-0.239
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	558.562
chemicalCompound:acdMostBpk...	6.017
chemicalCompound:chemblId	CHEMBL261529
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:530740
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:2144163, activity:2144196, activity:2144252, activity:2144283