269179

Source:http://linkedlifedata.com/resource/chembl/compound/269179

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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/C25H25N5O3S/c31-24(26-23(18-10-3-1-4-11-18)19-12-5-2-6-13-19)22-16-9-17-29(22)25(34)28-27-20-14-7-8-15-21(20)30(32)33/h1-8,10-15,22-23,27H,9,16-17H2,(H,26,31)(H,28,34)/t22-/m0/s1
chemicalCompound:standardIn...	RDLJFYDPHNQKHM-QFIPXVFZSA-N
chemicalCompound:canonicalS...	[O-][N+](=O)c1ccccc1N\N=C(/S)\N2CCC[C@H]2C(=O)NC(c3ccccc3)c4ccccc4
chemicalCompound:molecularF...	C25 H25 N5 O3 S
chemicalCompound:moleculeId	269179
chemicalCompound:mwFreebase	475.563
chemicalCompound:alogp	5.204
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	141.35
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.993
chemicalCompound:acdLogP	4.453
chemicalCompound:acdLogD	1.955
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	475.563
chemicalCompound:acdMostBpk...	12.024
chemicalCompound:chemblId	CHEMBL351387
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:369179
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:950726, activity:950727, activity:950728, activity:950729