253534

Source:http://linkedlifedata.com/resource/chembl/compound/253534

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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/C25H32N4O3S/c1-19-27-23-15-22(7-8-24(23)33-19)32-18-21(30)16-28-11-13-29(14-12-28)17-25(31)26-10-9-20-5-3-2-4-6-20/h2-8,15,21,30H,9-14,16-18H2,1H3,(H,26,31)/t21-/m1/s1
chemicalCompound:standardIn...	LCCPHXWRAPZDSN-OAQYLSRUSA-N
chemicalCompound:canonicalS...	Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)NCCc4ccccc4)CC3)ccc2s1
chemicalCompound:molecularF...	C25 H32 N4 O3 S
chemicalCompound:moleculeId	253534
chemicalCompound:mwFreebase	468.612
chemicalCompound:alogp	2.708
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	106.17
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.924
chemicalCompound:acdLogP	1.195
chemicalCompound:acdLogD	1.163
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	468.612
chemicalCompound:acdMostBpk...	6.505
chemicalCompound:chemblId	CHEMBL357119
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:353534
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:31870, activity:31871